3-hexyl-4,4-dimethyl-1H-pyrazol-5-one

Systemtic Name: 3-hexyl-4,4-dimethyl-1H-pyrazol-5-one Openeye Name: 3-hexyl-4,4-dimethyl-1H-pyrazol-5-one CAS Name: 3-hexyl-4,4-dimethyl-1H-pyrazol-5-one IUPAC Name: 3-hexyl-4,4-dimethyl-1H-pyrazol-5-one Traditional Name: 5-hexyl-4,4-dimethyl-2-pyrazolin-3-one Formula: C11H20N2O MolecularWeight: 196.2893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NNC(=O)C1(C)C

Isomeric SMILES

CCCCCCC1=NNC(=O)C1(C)C

InChI

InChI=1S/C11H20N2O/c1-4-5-6-7-8-9-11(2,3)10(14)13-12-9/h4-8H2,1-3H3,(H,13,14)