ChemSpider 2D Image | 4-{[{[1-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]methyl}-1,5-dimethyl-1H-pyrrole-2-carbonitrile | C19H20FN5

4-{[{[1-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]methyl}-1,5-dimethyl-1H-pyrrole-2-carbonitrile

  • Molecular FormulaC19H20FN5
  • Average mass337.394 Da
  • Monoisotopic mass337.170288 Da
  • ChemSpider ID29673975

More details:

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

1H-Pyrrole-2-carbonitrile, 4-[[[[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methylamino]methyl]-1,5-dimethyl- [ACD/Index Name]
4-{[{[1-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]methyl}-1,5-dimethyl-1H-pyrrole-2-carbonitrile [ACD/IUPAC Name]
4-{[{[1-(4-Fluorophényl)-1H-pyrazol-4-yl]méthyl}(méthyl)amino]méthyl}-1,5-diméthyl-1H-pyrrole-2-carbonitrile [French] [ACD/IUPAC Name]
4-{[{[1-(4-Fluorphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]methyl}-1,5-dimethyl-1H-pyrrol-2-carbonitril [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: 479.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.6±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.66
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 21.90
ACD/KOC (pH 7.4): 245.86
Polar Surface Area: 50 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 287.0±7.0 cm3

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