5-(2,5-dimethylphenyl)-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,5-dimethylphenyl)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 5-(2,5-dimethylphenyl)-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 5-(2,5-dimethylphenyl)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 5-(2,5-dimethylphenyl)-1-phenyl-pyrazole-3-carboxylic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=NN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=NN2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H16N2O2/c1-12-8-9-13(2)15(10-12)17-11-16(18(21)22)19-20(17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22)