ChemSpider 2D Image | N-{4-[(3,5-Dimethoxybenzyl)oxy]benzyl}-5,7-dimethyl-N-[(3S)-2-oxo-3-azepanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide | C31H35N5O5

N-{4-[(3,5-Dimethoxybenzyl)oxy]benzyl}-5,7-dimethyl-N-[(3S)-2-oxo-3-azepanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

  • Molecular FormulaC31H35N5O5
  • Average mass557.640 Da
  • Monoisotopic mass557.263794 Da
  • ChemSpider ID22860744

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{4-[(3,5-Dimethoxybenzyl)oxy]benzyl}-5,7-dimethyl-N-[(3S)-2-oxo-3-azepanyl]pyrazolo[1,5-a]pyrimidin-2-carboxamid [German] [ACD/IUPAC Name]
N-{4-[(3,5-Dimethoxybenzyl)oxy]benzyl}-5,7-dimethyl-N-[(3S)-2-oxo-3-azepanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide [ACD/IUPAC Name]
N-{4-[(3,5-Diméthoxybenzyl)oxy]benzyl}-5,7-diméthyl-N-[(3S)-2-oxo-3-azépanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-5,7-dimethyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.93
ACD/KOC (pH 5.5): 1571.28
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.93
ACD/KOC (pH 7.4): 1571.29
Polar Surface Area: 107 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 434.4±7.0 cm3

Click to predict properties on the Chemicalize site


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