ChemSpider 2D Image | (3R)-3-[(2,2,3,3,4,4,5,5-~2~H_8_)Cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | C17H10D8N6

(3R)-3-[(2,2,3,3,4,4,5,5-2H8)Cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

  • Molecular FormulaC17H10D8N6
  • Average mass314.414 Da
  • Monoisotopic mass314.209503 Da
  • ChemSpider ID115010950

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-3-[(2,2,3,3,4,4,5,5-2H8)Cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile [ACD/IUPAC Name]
(3R)-3-[(2,2,3,3,4,4,5,5-2H8)Cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile [French] [ACD/IUPAC Name]
(3R)-3-[(2,2,3,3,4,4,5,5-2H8)Cyclopentyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propannitril [German] [ACD/IUPAC Name]
1H-Pyrazole-1-propanenitrile, β-(cyclopentyl-2,2,3,3,4,4,5,5-d8)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (βR)- [ACD/Index Name]
1513883-39-0 [RN]
deuruxolitinib

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.747
Molar Refractivity: 88.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.37
ACD/KOC (pH 5.5): 340.81
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.73
ACD/KOC (pH 7.4): 345.80
Polar Surface Area: 83 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 218.6±7.0 cm3

Click to predict properties on the Chemicalize site


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