5-(4-methylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 2-benzyl-5-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-methylphenyl)-2-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-benzyl-5-(4-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-benzyl-5-(p-tolyl)pyrazole-3-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(=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2/c1-13-7-9-15(10-8-13)16-11-17(18(21)22)20(19-16)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22)