ChemSpider 2D Image | (5R,7S)-N-(1,3-Benzodioxol-5-yl)-3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide | C21H15ClF4N4O3

(5R,7S)-N-(1,3-Benzodioxol-5-yl)-3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

  • Molecular FormulaC21H15ClF4N4O3
  • Average mass482.815 Da
  • Monoisotopic mass482.076874 Da
  • ChemSpider ID62587564

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,7S)-N-(1,3-Benzodioxol-5-yl)-3-chlor-5-(4-fluorphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-carboxamid [German] [ACD/IUPAC Name]
(5R,7S)-N-(1,3-Benzodioxol-5-yl)-3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide [ACD/IUPAC Name]
(5R,7S)-N-(1,3-Benzodioxol-5-yl)-3-chloro-5-(4-fluorophényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-1,3-benzodioxol-5-yl-3-chloro-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-7-(trifluoromethyl)-, (5R,7S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 542.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.8±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.85
ACD/KOC (pH 5.5): 1968.67
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.13
ACD/KOC (pH 7.4): 1907.51
Polar Surface Area: 77 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 289.2±7.0 cm3

Click to predict properties on the Chemicalize site


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