3-azanyl-2-[(2S)-pentan-2-yl]-1H-pyrazol-5-one

Systemtic Name: 3-azanyl-2-[(2S)-pentan-2-yl]-1H-pyrazol-5-one Openeye Name: 3-amino-2-[(1S)-1-methylbutyl]-1H-pyrazol-5-one CAS Name: 3-amino-2-[(2S)-pentan-2-yl]-1H-pyrazol-5-one IUPAC Name: 3-amino-2-[(2S)-pentan-2-yl]-1H-pyrazol-5-one Traditional Name: 5-amino-1-[(1S)-1-methylbutyl]-3-pyrazolin-3-one Formula: C8H15N3O MolecularWeight: 169.2242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)N1C(=CC(=O)N1)N

InChI

InChI=1S/C8H15N3O/c1-3-4-6(2)11-7(9)5-8(12)10-11/h5-6H,3-4,9H2,1-2H3,(H,10,12)/t6-/m0/s1