ChemSpider 2D Image | 3-[5-(3,5-Difluorophenyl)-3-{[(3-fluorocyclopentyl)amino]methyl}-4-methyl-1H-pyrazol-1-yl]propanenitrile | C19H21F3N4

3-[5-(3,5-Difluorophenyl)-3-{[(3-fluorocyclopentyl)amino]methyl}-4-methyl-1H-pyrazol-1-yl]propanenitrile

  • Molecular FormulaC19H21F3N4
  • Average mass362.392 Da
  • Monoisotopic mass362.171844 Da
  • ChemSpider ID24625643

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrazole-1-propanenitrile, 5-(3,5-difluorophenyl)-3-[[(3-fluorocyclopentyl)amino]methyl]-4-methyl- [ACD/Index Name]
3-[5-(3,5-Difluorophenyl)-3-{[(3-fluorocyclopentyl)amino]methyl}-4-methyl-1H-pyrazol-1-yl]propanenitrile [ACD/IUPAC Name]
3-[5-(3,5-Difluorophényl)-3-{[(3-fluorocyclopentyl)amino]méthyl}-4-méthyl-1H-pyrazol-1-yl]propanenitrile [French] [ACD/IUPAC Name]
3-[5-(3,5-Difluorphenyl)-3-{[(3-fluorcyclopentyl)amino]methyl}-4-methyl-1H-pyrazol-1-yl]propannitril [German] [ACD/IUPAC Name]
MK-1925

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

Density: 1.3±0.1 g/cm3
Boiling Point: 494.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.9±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.99
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 27.48
ACD/KOC (pH 7.4): 305.31
Polar Surface Area: 54 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 277.7±7.0 cm3

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