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Home Carboxys 5-cyclobutyl-1H-pyrazole-3-carboxylic acid

5-cyclobutyl-1H-pyrazole-3-carboxylic acid

CAS No.:
957129-37-2
Catalog Number:
AG01BXT1
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG01BXT1
Chemical Name:
5-cyclobutyl-1H-pyrazole-3-carboxylic acid
CAS Number:
957129-37-2
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD24394917
IUPAC Name:
5-cyclobutyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c11-8(12)7-4-6(9-10-7)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChI Key:
VKUSZPYMCIJUJR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc([nH]n1)C1CCC1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20071015
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties