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

Systemtic Name: 3-(4-methylphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-phenyl-5-propyl-3-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-(4-methylphenyl)-1-phenyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-phenyl-5-propyl-3-(p-tolyl)pyrazole-4-carboxylic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C20H20N2O2/c1-3-7-17-18(20(23)24)19(15-12-10-14(2)11-13-15)21-22(17)16-8-5-4-6-9-16/h4-6,8-13H,3,7H2,1-2H3,(H,23,24)