3-azanyl-2-hexan-2-yl-1H-pyrazol-5-one

Systemtic Name: 3-azanyl-2-hexan-2-yl-1H-pyrazol-5-one Openeye Name: 3-amino-2-(1-methylpentyl)-1H-pyrazol-5-one CAS Name: 3-amino-2-hexan-2-yl-1H-pyrazol-5-one IUPAC Name: 3-amino-2-hexan-2-yl-1H-pyrazol-5-one Traditional Name: 5-amino-1-(1-methylpentyl)-3-pyrazolin-3-one Formula: C9H17N3O MolecularWeight: 183.25078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)N1C(=CC(=O)N1)N

Isomeric SMILES

CCCCC(C)N1C(=CC(=O)N1)N

InChI

InChI=1S/C9H17N3O/c1-3-4-5-7(2)12-8(10)6-9(13)11-12/h6-7H,3-5,10H2,1-2H3,(H,11,13)