3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one

Systemtic Name: 3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one Openeye Name: 3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one CAS Name: 3-methyl-1-(1-methyl-4-pyrazolyl)-1-butanone IUPAC Name: 3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one Traditional Name: 3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one Formula: C9H14N2O MolecularWeight: 166.22026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CN(N=C1)C

Isomeric SMILES

CC(C)CC(=O)C1=CN(N=C1)C

InChI

InChI=1S/C9H14N2O/c1-7(2)4-9(12)8-5-10-11(3)6-8/h5-7H,4H2,1-3H3