ChemSpider 2D Image | 6-{[2-({2-[(5R)-5-Cyano-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}amino)ethyl]amino}nicotinonitrile | C14H15N7O

6-{[2-({2-[(5R)-5-Cyano-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}amino)ethyl]amino}nicotinonitrile

  • Molecular FormulaC14H15N7O
  • Average mass297.315 Da
  • Monoisotopic mass297.133820 Da
  • ChemSpider ID23249835

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-pyridinecarbonitrile, 6-[[2-[[2-[(5R)-5-cyano-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]amino]ethyl]amino]- [ACD/Index Name]
6-{[2-({2-[(5R)-5-Cyan-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}amino)ethyl]amino}nicotinonitril [German] [ACD/IUPAC Name]
6-{[2-({2-[(5R)-5-Cyano-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}amino)ethyl]amino}nicotinonitrile [ACD/IUPAC Name]
6-{[2-({2-[(5R)-5-Cyano-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}amino)éthyl]amino}nicotinonitrile [French] [ACD/IUPAC Name]
6-{[2-({2-[(5R)-5-cyano-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}amino)ethyl]amino}pyridine-3-carbonitrile
6-{2-[2-((R)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-oxo-ethylamino]-ethylamino}-nicotinonitrile
CHEMBL185222

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.6±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.35
Polar Surface Area: 117 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 221.5±7.0 cm3

Click to predict properties on the Chemicalize site


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