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1297537-45-1,MFCD09028402
Catalog No.:AA000TJX

1297537-45-1 | 3-Acetyl-1h-pyrazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$19.00   $14.00
- +
5g
95%
in stock  
$61.00   $43.00
- +
10g
95%
in stock  
$108.00   $76.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000TJX
Chemical Name:
3-Acetyl-1h-pyrazole-5-carboxylic acid
CAS Number:
1297537-45-1
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD09028402
SMILES:
OC(=O)c1n[nH]c(c1)C(=O)C
Properties
Computed Properties
 
Complexity:
192  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
0.1  

Downstream Synthesis Route
3-acetyl-1H-pyrazole-5-carboxylicacid 
  1297537-41-7    1297537-33-7 

[1]CurrentPatentAssignee:ORIONOYJ-WO2011/51540,2011,A1Locationinpatent:Page/Pagecolumn51

[2]Denner,Karsten;Gieschen,Hille;Jungmann,NataliaA.;Kähkönen,Marja;Korjamo,Timo;Koskinen,Mikko;Niehues,Michael;Nykänen,Pirjo;Prien,Olaf;Taavitsainen,Päivi;VonBühler,Clemens-Jeremias;Vuorela,Annamari;Zurth,Christian[DrugMetabolismandDisposition,2021,vol.49,#6,p.420-433]

[1]CurrentPatentAssignee:ORIONOYJ-WO2011/51540,2011,A1Locationinpatent:Page/Pagecolumn65-66

[1]CurrentPatentAssignee:THERAVANCEBIOPHARMA,INC.-US2012/157383,2012,A1Locationinpatent:Page/Pagecolumn44

[1]CurrentPatentAssignee:THERAVANCEBIOPHARMA,INC.-US2012/157383,2012,A1Locationinpatent:Page/Pagecolumn44

3-acetyl-1H-pyrazole-5-carboxylicacid 
  1297537-41-7    1297537-33-7 

[1]CurrentPatentAssignee:ORIONOYJ-WO2016/162604,2016,A1Locationinpatent:Page/Pagecolumn16;17

[2]Yu,Jiang;Zhou,Peiting;Hu,Mingxing;Yang,Liuqing;Yan,Guoyi;Xu,Ruixue;Deng,Yufang;Li,Xinghai;Chen,Yuanwei[EuropeanJournalofMedicinalChemistry,2019,vol.182]

[3]CurrentPatentAssignee:ORIONOYJ-WO2012/143599,2012,A1Locationinpatent:Page/Pagecolumn71

Literature

Title: Agonist lead identification for the high affinity niacin receptor GPR109a.

Journal: Bioorganic & medicinal chemistry letters 20070901

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SDS
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