1-(3,4-dimethylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-isopropyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-5-isopropyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O)C(C)C)C

InChI

InChI=1S/C22H21F3N2O2/c1-12(2)20-18(21(28)29)19(15-6-8-16(9-7-15)22(23,24)25)26-27(20)17-10-5-13(3)14(4)11-17/h5-12H,1-4H3,(H,28,29)