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

Systemtic Name: 1-(3-methylphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(m-tolyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(3-methylphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-methylphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(m-tolyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O2/c1-3-5-17-18(20(27)28)19(14-8-10-15(11-9-14)21(22,23)24)25-26(17)16-7-4-6-13(2)12-16/h4,6-12H,3,5H2,1-2H3,(H,27,28)