4-azanyl-2-tert-butyl-1-methyl-5-propyl-pyrazol-3-one

Systemtic Name: 4-azanyl-2-tert-butyl-1-methyl-5-propyl-pyrazol-3-one Openeye Name: 4-amino-2-tert-butyl-1-methyl-5-propyl-pyrazol-3-one CAS Name: 4-amino-2-tert-butyl-1-methyl-5-propyl-3-pyrazolone IUPAC Name: 4-amino-2-tert-butyl-1-methyl-5-propylpyrazol-3-one Traditional Name: 4-amino-2-tert-butyl-1-methyl-5-propyl-3-pyrazolin-3-one Formula: C11H21N3O MolecularWeight: 211.30394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1C)C(C)(C)C)N

Isomeric SMILES

CCCC1=C(C(=O)N(N1C)C(C)(C)C)N

InChI

InChI=1S/C11H21N3O/c1-6-7-8-9(12)10(15)14(13(8)5)11(2,3)4/h6-7,12H2,1-5H3