5-methyl-3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-methyl-1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 5-methyl-3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-methyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-methyl-1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2C(=O)O)C)C3=CC=CC=C3

InChI

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