3-[5-(4-methylphenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-(4-methylphenyl)pyrazol-1-yl]benzoic acid Openeye Name: 3-[5-(p-tolyl)pyrazol-1-yl]benzoic acid CAS Name: 3-[5-(4-methylphenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[5-(4-methylphenyl)pyrazol-1-yl]benzoic acid Traditional Name: 3-[5-(p-tolyl)pyrazol-1-yl]benzoic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=NN2C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=NN2C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14N2O2/c1-12-5-7-13(8-6-12)16-9-10-18-19(16)15-4-2-3-14(11-15)17(20)21/h2-11H,1H3,(H,20,21)