5-(4-bromophenyl)-2-(4-methylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-bromophenyl)-2-(4-methylphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromophenyl)-2-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-bromophenyl)-2-(4-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromophenyl)-2-(4-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-bromophenyl)-2-(p-tolyl)pyrazole-3-carboxylic acid Formula: C17H13BrN2O2 MolecularWeight: 357.20132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O2/c1-11-2-8-14(9-3-11)20-16(17(21)22)10-15(19-20)12-4-6-13(18)7-5-12/h2-10H,1H3,(H,21,22)