2-tert-butyl-5-propyl-4H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-5-propyl-4H-pyrazol-3-one Openeye Name: 2-tert-butyl-5-propyl-4H-pyrazol-3-one CAS Name: 2-tert-butyl-5-propyl-4H-pyrazol-3-one IUPAC Name: 2-tert-butyl-5-propyl-4H-pyrazol-3-one Traditional Name: 2-tert-butyl-5-propyl-2-pyrazolin-3-one Formula: C10H18N2O MolecularWeight: 182.26272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C(C)(C)C

Isomeric SMILES

CCCC1=NN(C(=O)C1)C(C)(C)C

InChI

InChI=1S/C10H18N2O/c1-5-6-8-7-9(13)12(11-8)10(2,3)4/h5-7H2,1-4H3