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76424-47-0,MFCD02169458
Catalog No.:AA005XU5

76424-47-0 | 3-Propyl-1H-pyrazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$17.00   $12.00
- +
250mg
97%
in stock  
$33.00   $23.00
- +
1g
95%
in stock  
$40.00   $28.00
- +
5g
95%
in stock  
$161.00   $113.00
- +
25g
96%
in stock  
$760.00   $532.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005XU5
Chemical Name:
3-Propyl-1H-pyrazole-5-carboxylic acid
CAS Number:
76424-47-0
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD02169458
SMILES:
CCCc1cc([nH]n1)C(=O)O
Properties
Properties
 
BP:
383.1°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
149  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Haning,Helmut;Niewoehner,Ulrich;Schenke,Thomas;Lampe,Thomas;Hillisch,Alexander;Bischoff,Erwin[BioorganicandMedicinalChemistryLetters,2005,vol.15,#17,p.3900-3907]

[2]CurrentPatentAssignee:PFIZERINC-US2002/22732,2002,A1

[3]CurrentPatentAssignee:PFIZERINC-US6251904,2001,B1

[4]CurrentPatentAssignee:PFIZERINC-US6723719,2004,B1Locationinpatent:Pagecolumn45

5-propyl-4<i>H</i>-pyrazole-3-carboxylicacidethylester 
  76424-47-0 

[1]Haning,Helmut;Niewoehner,Ulrich;Schenke,Thomas;Lampe,Thomas;Hillisch,Alexander;Bischoff,Erwin[BioorganicandMedicinalChemistryLetters,2005,vol.15,#17,p.3900-3907]

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4914-4919

[1]Gharbaoui,Tawfik;Skinner,PhilipJ.;Shin,Young-Jun;Averbuj,Claudia;Jung,Jae-Kyu;Johnson,BenjaminR.;Duong,Tracy;Decaire,Marc;Uy,Jane;Cherrier,MartinC.;Webb,PeterJ.;Tamura,SusanY.;Zou,Ning;Rodriguez,Nathalie;Boatman,P.Douglas;Sage,CarletonR.;Lindstrom,Andrew;Xu,Jerry;Schrader,ThomasO.;Smith,BrianM.;Chen,Ruoping;Richman,JeremyG.;Connolly,DanielT.;Colletti,StevenL.;Tata,JamesR.;Semple,Graeme[BioorganicandMedicinalChemistryLetters,2007,vol.17,#17,p.4914-4919]

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4914-4919

[2]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.3900-3907

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a.

Journal: Bioorganic & medicinal chemistry letters 20071015

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

Journal: Bioorganic & medicinal chemistry letters 20070901

Title: Pyrazole derivatives as partial agonists for the nicotinic acid receptor.

Journal: Journal of medicinal chemistry 20030828

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SDS
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