3-azanyl-2-[(2S,4R,5R)-1,2,5-trimethylpiperidin-4-yl]-1H-pyrazol-5-one

Systemtic Name: 3-azanyl-2-[(2S,4R,5R)-1,2,5-trimethylpiperidin-4-yl]-1H-pyrazol-5-one Openeye Name: 3-amino-2-[(2S,4R,5R)-1,2,5-trimethyl-4-piperidyl]-1H-pyrazol-5-one CAS Name: 3-amino-2-[(2S,4R,5R)-1,2,5-trimethyl-4-piperidinyl]-1H-pyrazol-5-one IUPAC Name: 3-amino-2-[(2S,4R,5R)-1,2,5-trimethylpiperidin-4-yl]-1H-pyrazol-5-one Traditional Name: 5-amino-1-[(2S,4R,5R)-1,2,5-trimethyl-4-piperidyl]-3-pyrazolin-3-one Formula: C11H20N4O MolecularWeight: 224.3027

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)C)N2C(=CC(=O)N2)N

Isomeric SMILES

C[C@H]1C[C@H]([C@@H](CN1C)C)N2C(=CC(=O)N2)N

InChI

InChI=1S/C11H20N4O/c1-7-6-14(3)8(2)4-9(7)15-10(12)5-11(16)13-15/h5,7-9H,4,6,12H2,1-3H3,(H,13,16)/t7-,8+,9-/m1/s1