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

Systemtic Name: 3-azanyl-2-[(2S)-butan-2-yl]-1H-pyrazol-5-one Openeye Name: 3-amino-2-[(1S)-1-methylpropyl]-1H-pyrazol-5-one CAS Name: 3-amino-2-[(2S)-butan-2-yl]-1H-pyrazol-5-one IUPAC Name: 3-amino-2-[(2S)-butan-2-yl]-1H-pyrazol-5-one Traditional Name: 5-amino-1-[(1S)-1-methylpropyl]-3-pyrazolin-3-one Formula: C7H13N3O MolecularWeight: 155.19762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13N3O/c1-3-5(2)10-6(8)4-7(11)9-10/h4-5H,3,8H2,1-2H3,(H,9,11)/t5-/m0/s1