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

Systemtic Name: 1-(3-bromophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C23H14BrF3N2O2 MolecularWeight: 487.26867

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC(=CC=C3)Br)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC(=CC=C3)Br)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H14BrF3N2O2/c24-17-7-4-8-18(13-17)29-21(15-5-2-1-3-6-15)19(22(30)31)20(28-29)14-9-11-16(12-10-14)23(25,26)27/h1-13H,(H,30,31)