ChemSpider 2D Image | 1-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-{2-[(3-fluorobenzyl)amino]ethyl}-2-pyrrolidinone | C21H29FN4O

1-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-{2-[(3-fluorobenzyl)amino]ethyl}-2-pyrrolidinone

  • Molecular FormulaC21H29FN4O
  • Average mass372.480 Da
  • Monoisotopic mass372.232544 Da
  • ChemSpider ID22249731

More details:

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

1-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-{2-[(3-fluorbenzyl)amino]ethyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-{2-[(3-fluorobenzyl)amino]ethyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-[3-(3,5-Diméthyl-1H-pyrazol-1-yl)propyl]-5-{2-[(3-fluorobenzyl)amino]éthyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5-[2-[[(3-fluorophenyl)methyl]amino]ethyl]- [ACD/Index 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: 539.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.1±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 106.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 28.12
Polar Surface Area: 50 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 314.4±7.0 cm3

Click to predict properties on the Chemicalize site


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