ChemSpider 2D Image | 4-{[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1-[2-(4-fluorophenyl)ethyl]-2-pyrrolidinone | C20H27FN4O

4-{[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1-[2-(4-fluorophenyl)ethyl]-2-pyrrolidinone

  • Molecular FormulaC20H27FN4O
  • Average mass358.453 Da
  • Monoisotopic mass358.216888 Da
  • ChemSpider ID22225675

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyrrolidinone, 4-[[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]-1-[2-(4-fluorophenyl)ethyl]- [ACD/Index Name]
4-{[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1-[2-(4-fluorophenyl)ethyl]-2-pyrrolidinone [ACD/IUPAC Name]
4-{[(1-Éthyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]amino}-1-[2-(4-fluorophényl)éthyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
4-{[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1-[2-(4-fluorphenyl)ethyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 540.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 14.94
ACD/KOC (pH 5.5): 121.62
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 147.25
ACD/KOC (pH 7.4): 1198.37
Polar Surface Area: 50 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 297.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement