1053085-34-9,MFCD09951096
Catalog No.:AA009M3V

1053085-34-9 | 1-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$82.00   $57.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA009M3V
Chemical Name:
1-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1053085-34-9
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD09951096
SMILES:
Clc1cccc(c1)n1ncc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
250  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/22818,2013,A1Locationinpatent:Paragraph00330

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2014/160668,2014,A1Locationinpatent:Page/Pagecolumn119

[1]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

[2]Ferreira,ByancaSilva;Silva,RafaelaCorrêa;Souto,BernardoAraújo;DosSantos,MaurícioSilva[LettersinOrganicChemistry,2021,vol.18,#5,p.335-343]

[1]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

[2]Ferreira,ByancaSilva;Silva,RafaelaCorrêa;Souto,BernardoAraújo;DosSantos,MaurícioSilva[LettersinOrganicChemistry,2021,vol.18,#5,p.335-343]

[1]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

[2]Ferreira,ByancaSilva;Silva,RafaelaCorrêa;Souto,BernardoAraújo;DosSantos,MaurícioSilva[LettersinOrganicChemistry,2021,vol.18,#5,p.335-343]

methylN-(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo13.3.1.02,7-nonadeca-1(19),2(7),3,5,15,17-hexaen-5-ylcarbamatebis-trifluoroaceticacidsalt 
  1053085-34-9   
methylN-(10R,14S)-14-1-(3-chlorophenyl)-1H-pyrazole-4-amido-10-methyl-9-oxo-8,16-diazatricyclo13.3.1.02,7nonadeca-1(19),2(7),3,5,15,17-hexaen-5-ylcarbamatetrifluoroaceticacidsalt 

[1]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

Literature
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SDS
Tags:1053085-34-9 Molecular Formula|1053085-34-9 MDL|1053085-34-9 SMILES|1053085-34-9 1-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid
Catalog No.: AA009M3V
1053085-34-9,MFCD09951096
1053085-34-9 | 1-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid
Pack Size: 100mg
Purity: 95%
in stock
$82.00 $57.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA009M3V
Chemical Name: 1-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid
CAS Number: 1053085-34-9
Molecular Formula: C10H7ClN2O2
Molecular Weight: 222.6278
MDL Number: MFCD09951096
SMILES: Clc1cccc(c1)n1ncc(c1)C(=O)O
Properties
Complexity: 250  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
925142-81-0    1053085-34-9 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/22818,2013,A1Locationinpatent:Paragraph00330

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2014/160668,2014,A1Locationinpatent:Page/Pagecolumn119

2312-23-4    1053085-34-9 

[1]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

[2]Ferreira,ByancaSilva;Silva,RafaelaCorrêa;Souto,BernardoAraújo;DosSantos,MaurícioSilva[LettersinOrganicChemistry,2021,vol.18,#5,p.335-343]

15001-08-8    1053085-34-9 

[1]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

[2]Ferreira,ByancaSilva;Silva,RafaelaCorrêa;Souto,BernardoAraújo;DosSantos,MaurícioSilva[LettersinOrganicChemistry,2021,vol.18,#5,p.335-343]

110821-32-4    1053085-34-9 

[1]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

[2]Ferreira,ByancaSilva;Silva,RafaelaCorrêa;Souto,BernardoAraújo;DosSantos,MaurícioSilva[LettersinOrganicChemistry,2021,vol.18,#5,p.335-343]

methylN-(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo13.3.1.02,7-nonadeca-1(19),2(7),3,5,15,17-hexaen-5-ylcarbamatebis-trifluoroaceticacidsalt 
  1053085-34-9   
methylN-(10R,14S)-14-1-(3-chlorophenyl)-1H-pyrazole-4-amido-10-methyl-9-oxo-8,16-diazatricyclo13.3.1.02,7nonadeca-1(19),2(7),3,5,15,17-hexaen-5-ylcarbamatetrifluoroaceticacidsalt 

[1]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

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