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

Systemtic Name: 5-ethyl-1-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(m-tolyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 5-ethyl-1-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-1-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(m-tolyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C20H17F3N2O2 MolecularWeight: 374.35639

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC(=C2)C)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC(=C2)C)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H17F3N2O2/c1-3-16-17(19(26)27)18(13-7-9-14(10-8-13)20(21,22)23)24-25(16)15-6-4-5-12(2)11-15/h4-11H,3H2,1-2H3,(H,26,27)