Home Carboxys 1-benzyl-3-phenylpyrazole-4-carboxylic acid

1-benzyl-3-phenylpyrazole-4-carboxylic acid

CAS No.:
905589-98-2
Catalog Number:
AG00IG75
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
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Product Description
Catalog Number:
AG00IG75
Chemical Name:
1-benzyl-3-phenylpyrazole-4-carboxylic acid
CAS Number:
905589-98-2
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
MDL Number:
MFCD06364990
IUPAC Name:
1-benzyl-3-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C17H14N2O2/c20-17(21)15-12-19(11-13-7-3-1-4-8-13)18-16(15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,21)
InChI Key:
NUMFTJJYFCUIDI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(nc1c1ccccc1)Cc1ccccc1
Properties
Complexity:
349  
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:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties