Name: Name:3-(3-Methoxyphenyl)-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG00IJA3
Rating: 90 (10 reviews)

3-(3-Methoxyphenyl)-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid

CAS No.:

956386-76-8

Catalog Number:

AG00IJA3

Molecular Formula:

C18H16N2O3

Molecular Weight:

308.3312

Catalog Number:

AG00IJA3

Chemical Name:

3-(3-Methoxyphenyl)-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid

CAS Number:

956386-76-8

Molecular Formula:

C18H16N2O3

Molecular Weight:

308.3312

MDL Number:

MFCD06358011

IUPAC Name:

3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-11-16(18(21)22)17(19-20)13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)

InChI Key:

NBUIXPYWAMPNLW-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)c1nn(cc1C(=O)O)c1ccc(cc1)C

Complexity:

409

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.337g/mol

Monoisotopic Mass:

308.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4