1-(3-chlorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C18H12ClF3N2O2 MolecularWeight: 380.74829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H12ClF3N2O2/c1-10-15(17(25)26)16(11-5-7-12(8-6-11)18(20,21)22)23-24(10)14-4-2-3-13(19)9-14/h2-9H,1H3,(H,25,26)