1-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-5-(4-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(p-tolyl)pyrazole-3-carboxylic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=NC(=CC(=N3)C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=NC(=CC(=N3)C)C)C(=O)O

InChI

InChI=1S/C17H16N4O2/c1-10-4-6-13(7-5-10)15-9-14(16(22)23)20-21(15)17-18-11(2)8-12(3)19-17/h4-9H,1-3H3,(H,22,23)