3-methyl-4-(3-methylbutyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 3-methyl-4-(3-methylbutyl)-1,4-dihydropyrazol-5-one Openeye Name: 4-isopentyl-3-methyl-1,4-dihydropyrazol-5-one CAS Name: 3-methyl-4-(3-methylbutyl)-1,4-dihydropyrazol-5-one IUPAC Name: 3-methyl-4-(3-methylbutyl)-1,4-dihydropyrazol-5-one Traditional Name: 4-isoamyl-5-methyl-2-pyrazolin-3-one Formula: C9H16N2O MolecularWeight: 168.23614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1CCC(C)C

Isomeric SMILES

CC1=NNC(=O)C1CCC(C)C

InChI

InChI=1S/C9H16N2O/c1-6(2)4-5-8-7(3)10-11-9(8)12/h6,8H,4-5H2,1-3H3,(H,11,12)