Home Carboxys 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid

1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid

CAS No.:
956199-09-0
Catalog Number:
AG00IJ90
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
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Product Description
Catalog Number:
AG00IJ90
Chemical Name:
1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid
CAS Number:
956199-09-0
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
MDL Number:
MFCD06375943
IUPAC Name:
1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C19H18N2O2/c1-13-8-9-16(10-14(13)2)18-17(19(22)23)12-21(20-18)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23)
InChI Key:
RWSJENDVBDXIOU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(nc1c1ccc(c(c1)C)C)Cc1ccccc1
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties