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Home Aminos 4-(5-amino-4-cyano-1H-pyrazol-1-yl)benzoic acid

4-(5-amino-4-cyano-1H-pyrazol-1-yl)benzoic acid

CAS No.:
882233-04-7
Catalog Number:
AG019W4T
Molecular Formula:
C11H8N4O2
Molecular Weight:
228.2068
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Product Description
Catalog Number:
AG019W4T
Chemical Name:
4-(5-amino-4-cyano-1H-pyrazol-1-yl)benzoic acid
CAS Number:
882233-04-7
Molecular Formula:
C11H8N4O2
Molecular Weight:
228.2068
MDL Number:
MFCD04610186
IUPAC Name:
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
InChI:
InChI=1S/C11H8N4O2/c12-5-8-6-14-15(10(8)13)9-3-1-7(2-4-9)11(16)17/h1-4,6H,13H2,(H,16,17)
InChI Key:
KAQCYGLIMDDYKW-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccc(cc1)C(=O)O
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.065g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.211g/mol
Monoisotopic Mass:
228.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors. European journal of medicinal chemistry 20080401
Properties