ChemSpider 2D Image | N-[(1S)-1-(4-{[1-(5-{[(1R)-2,2-Difluorocyclopropyl]methoxy}-2-pyridinyl)-3-pyrrolidinyl]oxy}phenyl)ethyl]-1H-pyrazole-4-carboxamide | C25H27F2N5O3

N-[(1S)-1-(4-{[1-(5-{[(1R)-2,2-Difluorocyclopropyl]methoxy}-2-pyridinyl)-3-pyrrolidinyl]oxy}phenyl)ethyl]-1H-pyrazole-4-carboxamide

  • Molecular FormulaC25H27F2N5O3
  • Average mass483.510 Da
  • Monoisotopic mass483.208191 Da
  • ChemSpider ID58894656

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxamide, N-[(1S)-1-[4-[[1-[5-[[(1R)-2,2-difluorocyclopropyl]methoxy]-2-pyridinyl]-3-pyrrolidinyl]oxy]phenyl]ethyl]- [ACD/Index Name]
N-[(1S)-1-(4-{[1-(5-{[(1R)-2,2-Difluorcyclopropyl]methoxy}-2-pyridinyl)-3-pyrrolidinyl]oxy}phenyl)ethyl]-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(4-{[1-(5-{[(1R)-2,2-Difluorocyclopropyl]methoxy}-2-pyridinyl)-3-pyrrolidinyl]oxy}phenyl)ethyl]-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-[(1S)-1-(4-{[1-(5-{[(1R)-2,2-Difluorocyclopropyl]méthoxy}-2-pyridinyl)-3-pyrrolidinyl]oxy}phényl)éthyl]-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.5±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 240.79
ACD/KOC (pH 5.5): 1759.53
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.70
ACD/KOC (pH 7.4): 1773.46
Polar Surface Area: 92 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 350.5±5.0 cm3

Click to predict properties on the Chemicalize site


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