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

Systemtic Name: 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C18H12F4N2O2 MolecularWeight: 364.293693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F4N2O2/c1-10-15(17(25)26)16(11-2-4-12(5-3-11)18(20,21)22)23-24(10)14-8-6-13(19)7-9-14/h2-9H,1H3,(H,25,26)