ChemSpider 2D Image | 5-(3,4-Dimethoxyphenyl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | C25H25F3N4O6

5-(3,4-Dimethoxyphenyl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

  • Molecular FormulaC25H25F3N4O6
  • Average mass534.484 Da
  • Monoisotopic mass534.172607 Da
  • ChemSpider ID12986334

More details:

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

5-(3,4-Dimethoxyphenyl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-carboxamid [German] [ACD/IUPAC Name]
5-(3,4-Dimethoxyphenyl)-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide [ACD/IUPAC Name]
5-(3,4-Diméthoxyphényl)-N-[6-(1-hydroxyéthyl)-1,3-benzodioxol-5-yl]-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.4±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 107.32
ACD/KOC (pH 5.5): 988.89
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 107.32
ACD/KOC (pH 7.4): 988.90
Polar Surface Area: 116 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 348.7±7.0 cm3

Click to predict properties on the Chemicalize site


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