4-azanyl-5-tert-butyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one

Systemtic Name: 4-azanyl-5-tert-butyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one Openeye Name: 4-amino-5-tert-butyl-2-isobutyl-1-methyl-pyrazol-3-one CAS Name: 4-amino-5-tert-butyl-1-methyl-2-(2-methylpropyl)-3-pyrazolone IUPAC Name: 4-amino-5-tert-butyl-1-methyl-2-(2-methylpropyl)pyrazol-3-one Traditional Name: 4-amino-5-tert-butyl-2-isobutyl-1-methyl-3-pyrazolin-3-one Formula: C12H23N3O MolecularWeight: 225.33052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=C(N1C)C(C)(C)C)N

Isomeric SMILES

CC(C)CN1C(=O)C(=C(N1C)C(C)(C)C)N

InChI

InChI=1S/C12H23N3O/c1-8(2)7-15-11(16)9(13)10(14(15)6)12(3,4)5/h8H,7,13H2,1-6H3