ChemSpider 2D Image | GNE-0877 | C14H16F3N7

GNE-0877

  • Molecular FormulaC14H16F3N7
  • Average mass339.319 Da
  • Monoisotopic mass339.141937 Da
  • ChemSpider ID31042603

More details:

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

1374828-69-9 [RN]
1H-Pyrazole-1-acetonitrile, α,α,3-trimethyl-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]- [ACD/Index Name]
2-Methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluormethyl)-2-pyrimidinyl]amino}-1H-pyrazol-1-yl)propannitril [German] [ACD/IUPAC Name]
2-Methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-1H-pyrazol-1-yl)propanenitrile [ACD/IUPAC Name]
2-Méthyl-2-(3-méthyl-4-{[4-(méthylamino)-5-(trifluorométhyl)-2-pyrimidinyl]amino}-1H-pyrazol-1-yl)propanenitrile [French] [ACD/IUPAC Name]
2-METHYL-2-(3-METHYL-4-{[4-(METHYLAMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}-1H-PYRAZOL-1-YL)PROPANENITRILE
2-METHYL-2-(3-METHYL-4-{[4-(METHYLAMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}PYRAZOL-1-YL)PROPANENITRILE
GNE-0877
?,?,3-trimethyl-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1H-pyrazole-1-acetonitrile
[1374828-69-9] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ANGHS285FG [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 506.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 260.0±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 83.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.59
ACD/KOC (pH 5.5): 458.91
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.85
ACD/KOC (pH 7.4): 486.52
Polar Surface Area: 91 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 248.1±7.0 cm3

Click to predict properties on the Chemicalize site


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