Name: Name:1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG00IJ90
Rating: 90 (10 reviews)

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

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

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.365g/mol

Monoisotopic Mass:

306.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7