1-methyl-5-{[(2H3)methyl(1-phenylpropan-2-yl)amino]methyl}-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one

• ChemBase ID: 168868
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: c1(=O)c(c(n(n1c1ccccc1)C)CN(C(Cc1ccccc1)C)C)C(C)C
• Canonical SMILES: CC(N(Cc1c(C(C)C)c(=O)n(n1C)c1ccccc1)C)Cc1ccccc1
• InChI: InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
• InChIKey: GNUXVOXXWGNPIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-{[(^2H₃)methyl(1-phenylpropan-2-yl)amino]methyl}-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one
• IUPAC Traditional name: 4-isopropyl-1-methyl-5-{[(^2H₃)methyl(1-phenylpropan-2-yl)amino]methyl}-2-phenylpyrazol-3-one
• Synonyms: 1,2-Dihydro-1-methyl-4-(1-methylethyl)-5-[[methyl-d3(1-methyl-2-phenylethyl)amino]methyl]-2-phenyl-3H-pyrazol-3-one; 4-Isopropyl-2-methyl-3-[[methyl-d3(α-methylphenethyl)amino]methyl]-1-phenyl-3-pyrazolin-5-one; Famprofazone-d3

Database IDs

• PubChem SID: 162263000
• PubChem CID: 71316711

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1910763
• LogD (pH = 7.4): 2.7367613
• Log P: 4.437656
• Molar Refractivity: 116.9804 cm^3
• Polarizability: 44.871067 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F102352

Labelled Famprofazone (F102350). It is known to metabolize to Methamphetamine (M258795) and Amphetamine (A634248) and is included in the prohibited list of the World Anti-Doping Agency. Controlled substance (stimulant).

REFERENCES

• Oh, E., et al.: Xenobiotica, 22, 377 (1992)
• Greenhill, B., et al.: J. Anal. Toxicol., 27, 479 (1992)
• Tseng, Y.L., et al.: J. Forensic Sci., 52, 479 (1992)