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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O2/c1-4-5-18-19(21(28)29)20(15-7-9-16(10-8-15)22(23,24)25)26-27(18)17-11-6-13(2)14(3)12-17/h6-12H,4-5H2,1-3H3,(H,28,29)