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

• ChemBase ID: 127384
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: O=c1c(c(n(n1c1ccccc1)C)CN(C(C)Cc1ccccc1)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-{[methyl(1-phenylpropan-2-yl)amino]methyl}-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one
• IUPAC Traditional name: famprofazone
• Synonyms: Famprofazonum; Famprofazone; 1,2-Dihydro-1-methyl-4-(1-methylethyl)-5-[[methyl(1-methyl-2-phenylethyl)amino]methyl]-2-phenyl-3H-pyrazol-3-one; 4-Isopropyl-2-methyl-3-[[methyl(α-methylphenethyl)amino]methyl]-1-phenyl-3-pyrazolin-5-one; Famprofazone; 泛普法宗

Database IDs

• CAS Number: 22881-35-2
• EC Number: 245-284-9
• MDL Number: MFCD00079304
• PubChem SID: 162221705; 24894971
• PubChem CID: 3326
• Chemspider ID: 3209
• Unique Ingredient Identifier: HN0NCX453C
• Wikipedia Title: Famprofazone

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: 44.871063 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: UQ9451000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others
• Admin Routes: Oral
• Legal Status: Rx-only

Product Information

• Grade: analytical standard
• Salt Data: Free Base
• Empirical Formula (Hill Notation): C24H31N3O

DETAILS

Toronto Research Chemicals - F102350

Famprofazone, which 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)