ChemSpider 2D Image | (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate | C25H28F3N3O3

(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

  • Molecular FormulaC25H28F3N3O3
  • Average mass475.503 Da
  • Monoisotopic mass475.208282 Da
  • ChemSpider ID22946197

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate [ACD/IUPAC Name]
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl-5-(2-methoxyphenyl)-7-(trifluormethyl)pyrazolo[1,5-a]pyrimidin-3-carboxylat [German] [ACD/IUPAC Name]
5-(2-Méthoxyphényl)-7-(trifluorométhyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate de (1S,2R,5S)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-(2-methoxyphenyl)-7-(trifluoromethyl)-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]
(1S,5S,2R)-5-methyl-2-(methylethyl)cyclohexyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidine-3-carboxylate
5-(2-Methoxy-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid 2-isopropyl-5-methyl-cyclohexyl ester

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: 1.582
Molar Refractivity: 120.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 23066.76
ACD/KOC (pH 5.5): 46196.74
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 23066.76
ACD/KOC (pH 7.4): 46196.74
Polar Surface Area: 66 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 361.6±7.0 cm3

Click to predict properties on the Chemicalize site


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