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

Systemtic Name: 3-azanyl-2-heptan-2-yl-1H-pyrazol-5-one Openeye Name: 3-amino-2-(1-methylhexyl)-1H-pyrazol-5-one CAS Name: 3-amino-2-heptan-2-yl-1H-pyrazol-5-one IUPAC Name: 3-amino-2-heptan-2-yl-1H-pyrazol-5-one Traditional Name: 5-amino-1-(1-methylhexyl)-3-pyrazolin-3-one Formula: C10H19N3O MolecularWeight: 197.27736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19N3O/c1-3-4-5-6-8(2)13-9(11)7-10(14)12-13/h7-8H,3-6,11H2,1-2H3,(H,12,14)