ChemSpider 2D Image | (5R,7R)-2-[1-(3,4-Dimethoxybenzyl)-2-pyrrolidinyl]-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine | C22H29F3N4O2

(5R,7R)-2-[1-(3,4-Dimethoxybenzyl)-2-pyrrolidinyl]-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

  • Molecular FormulaC22H29F3N4O2
  • Average mass438.487 Da
  • Monoisotopic mass438.224274 Da
  • ChemSpider ID24986084

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5R,7R)-2-[1-(3,4-Dimethoxybenzyl)-2-pyrrolidinyl]-5-ethyl-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
(5R,7R)-2-[1-(3,4-Dimethoxybenzyl)-2-pyrrolidinyl]-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
(5R,7R)-2-[1-(3,4-Diméthoxybenzyl)-2-pyrrolidinyl]-5-éthyl-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine, 2-[1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidinyl]-5-ethyl-4,5,6,7-tetrahydro-7-(trifluoromethyl)-, (5R,7R)- [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: 520.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.7±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 48.98
ACD/KOC (pH 7.4): 366.95
Polar Surface Area: 52 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 327.9±7.0 cm3

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