1-(4-bromophenyl)-3-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-3-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-3-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-3-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-3-isopropyl-pyrazole-4-carboxylic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1C(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C1=NN(C=C1C(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN2O2/c1-8(2)12-11(13(17)18)7-16(15-12)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,17,18)