ChemSpider 2D Image | (5R)-N-[3-(4-Ethylphenyl)-3-pentanyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | C29H38N4O

(5R)-N-[3-(4-Ethylphenyl)-3-pentanyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

  • Molecular FormulaC29H38N4O
  • Average mass458.638 Da
  • Monoisotopic mass458.304565 Da
  • ChemSpider ID26336340

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-N-[3-(4-Ethylphenyl)-3-pentanyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-carboxamid [German] [ACD/IUPAC Name]
(5R)-N-[3-(4-Ethylphenyl)-3-pentanyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide [ACD/IUPAC Name]
(5R)-N-[3-(4-Éthylphényl)-3-pentanyl]-2,7,7-triméthyl-5-phényl-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-[1-ethyl-1-(4-ethylphenyl)propyl]-4,5,6,7-tetrahydro-2,7,7-trimethyl-5-phenyl-, (5R)- [ACD/Index Name]
667931-25-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.5±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85189.97
ACD/KOC (pH 5.5): 117626.75
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85357.75
ACD/KOC (pH 7.4): 117858.41
Polar Surface Area: 59 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 412.6±7.0 cm3

Click to predict properties on the Chemicalize site


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