ChemSpider 2D Image | [4-({4-[(3-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}amino)phenyl]acetonitrile | C20H21N7

[4-({4-[(3-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}amino)phenyl]acetonitrile

  • Molecular FormulaC20H21N7
  • Average mass359.428 Da
  • Monoisotopic mass359.185852 Da
  • ChemSpider ID35035093

More details:

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

[4-({4-[(3-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}amino)phenyl]acetonitril [German] [ACD/IUPAC Name]
[4-({4-[(3-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}amino)phenyl]acetonitrile [ACD/IUPAC Name]
[4-({4-[(3-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl}amino)phényl]acétonitrile [French] [ACD/IUPAC Name]
[4-({4-[(3-Cyclopentyl-1h-Pyrazol-5-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrile
Benzeneacetonitrile, 4-[[4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
38R

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.4±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 104.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 55.21
ACD/KOC (pH 5.5): 452.68
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.01
ACD/KOC (pH 7.4): 1295.52
Polar Surface Area: 102 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 269.2±3.0 cm3

Click to predict properties on the Chemicalize site


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