1-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazole-4-carboxylic acid Openeye Name: 1-(p-tolylmethyl)-5-(p-tolylmethylamino)pyrazole-4-carboxylic acid CAS Name: 1-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(4-methylbenzyl)-5-[(4-methylbenzyl)amino]pyrazole-4-carboxylic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=NN2CC3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=NN2CC3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C20H21N3O2/c1-14-3-7-16(8-4-14)11-21-19-18(20(24)25)12-22-23(19)13-17-9-5-15(2)6-10-17/h3-10,12,21H,11,13H2,1-2H3,(H,24,25)