Home Carboxys 1-(4-Methylphenyl)-3-phenyl-1h-pyrazole-4-carboxylic acid

1-(4-Methylphenyl)-3-phenyl-1h-pyrazole-4-carboxylic acid

CAS No.:
956984-60-4
Catalog Number:
AG00IJCT
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
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Product Description
Catalog Number:
AG00IJCT
Chemical Name:
1-(4-Methylphenyl)-3-phenyl-1h-pyrazole-4-carboxylic acid
CAS Number:
956984-60-4
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
MDL Number:
MFCD06358036
IUPAC Name:
1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)19-11-15(17(20)21)16(18-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChI Key:
LNXXVLMXQUWUNK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cc(c(n1)c1ccccc1)C(=O)O
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Synthesis and biological evaluation of some pyrazole derivatives as anti-malarial agents. Archiv der Pharmazie 20120201
Properties