3-(2-methylphenyl)-1-pyridin-4-yl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(2-methylphenyl)-1-pyridin-4-yl-pyrazole-4-carboxylic acid Openeye Name: 3-(o-tolyl)-1-(4-pyridyl)pyrazole-4-carboxylic acid CAS Name: 3-(2-methylphenyl)-1-pyridin-4-yl-4-pyrazolecarboxylic acid IUPAC Name: 3-(2-methylphenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid Traditional Name: 3-(o-tolyl)-1-(4-pyridyl)pyrazole-4-carboxylic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O2/c1-11-4-2-3-5-13(11)15-14(16(20)21)10-19(18-15)12-6-8-17-9-7-12/h2-10H,1H3,(H,20,21)