2-(2,4-dimethylphenyl)-5-propan-2-yl-4H-pyrazol-3-one

Systemtic Name: 2-(2,4-dimethylphenyl)-5-propan-2-yl-4H-pyrazol-3-one Openeye Name: 2-(2,4-dimethylphenyl)-5-isopropyl-4H-pyrazol-3-one CAS Name: 2-(2,4-dimethylphenyl)-5-propan-2-yl-4H-pyrazol-3-one IUPAC Name: 2-(2,4-dimethylphenyl)-5-propan-2-yl-4H-pyrazol-3-one Traditional Name: 2-(2,4-dimethylphenyl)-5-isopropyl-2-pyrazolin-3-one Formula: C14H18N2O MolecularWeight: 230.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O/c1-9(2)12-8-14(17)16(15-12)13-6-5-10(3)7-11(13)4/h5-7,9H,8H2,1-4H3