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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)Br

InChI

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