ChemSpider 2D Image | 3,4-Dihydro-2(1H)-isoquinolinyl[(5R,7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone | C24H23F3N4O2

3,4-Dihydro-2(1H)-isoquinolinyl[(5R,7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone

  • Molecular FormulaC24H23F3N4O2
  • Average mass456.460 Da
  • Monoisotopic mass456.177307 Da
  • ChemSpider ID29165772

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,4-Dihydro-2(1H)-isochinolinyl[(5R,7S)-5-(3-methoxyphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanon [German] [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isoquinoléinyl[(5R,7S)-5-(3-méthoxyphényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-3-yl]méthanone [French] [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isoquinolinyl[(5R,7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone [ACD/IUPAC Name]
Methanone, (3,4-dihydro-2(1H)-isoquinolinyl)[(5R,7S)-4,5,6,7-tetrahydro-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.1±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1108.61
ACD/KOC (pH 5.5): 5260.68
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1108.70
ACD/KOC (pH 7.4): 5261.10
Polar Surface Area: 59 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 324.0±7.0 cm3

Click to predict properties on the Chemicalize site


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