ChemSpider 2D Image | [4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}amino)phenyl]acetonitrile | C18H17N7

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

  • Molecular FormulaC18H17N7
  • Average mass331.375 Da
  • Monoisotopic mass331.154541 Da
  • ChemSpider ID25059246

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 665.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.5±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 92.16
ACD/KOC (pH 5.5): 860.65
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.26
ACD/KOC (pH 7.4): 954.94
Polar Surface Area: 102 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 83.8±3.0 dyne/cm
Molar Volume: 233.7±3.0 cm3

Click to predict properties on the Chemicalize site


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