Name: Name:3-(2,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG00IJA1
Rating: 90 (10 reviews)

3-(2,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:

956386-17-7

Catalog Number:

AG00IJA1

Molecular Formula:

C18H16N2O2

Molecular Weight:

292.3318

Catalog Number:

AG00IJA1

Chemical Name:

3-(2,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS Number:

956386-17-7

Molecular Formula:

C18H16N2O2

Molecular Weight:

292.3318

MDL Number:

MFCD06357834

IUPAC Name:

3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C18H16N2O2/c1-12-8-9-15(13(2)10-12)17-16(18(21)22)11-20(19-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22)

InChI Key:

NYNBUAHSMOBRQL-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)C)c1nn(cc1C(=O)O)c1ccccc1

Complexity:

395

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

292.338g/mol

Monoisotopic Mass:

292.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8