4,4-dimethyl-3-(2-methylpropyl)-1H-pyrazol-5-one

Systemtic Name: 4,4-dimethyl-3-(2-methylpropyl)-1H-pyrazol-5-one Openeye Name: 3-isobutyl-4,4-dimethyl-1H-pyrazol-5-one CAS Name: 4,4-dimethyl-3-(2-methylpropyl)-1H-pyrazol-5-one IUPAC Name: 4,4-dimethyl-3-(2-methylpropyl)-1H-pyrazol-5-one Traditional Name: 5-isobutyl-4,4-dimethyl-2-pyrazolin-3-one Formula: C9H16N2O MolecularWeight: 168.23614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=O)C1(C)C

Isomeric SMILES

CC(C)CC1=NNC(=O)C1(C)C

InChI

InChI=1S/C9H16N2O/c1-6(2)5-7-9(3,4)8(12)11-10-7/h6H,5H2,1-4H3,(H,11,12)