ChemSpider 2D Image | (4R)-6-Amino-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C21H19F3N6O

(4R)-6-Amino-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC21H19F3N6O
  • Average mass428.410 Da
  • Monoisotopic mass428.157257 Da
  • ChemSpider ID62668016

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-6-Amino-4-(2,5-dimethyl-3-{[3-(trifluormethyl)-1H-pyrazol-1-yl]methyl}phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
(4R)-6-Amino-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
(4R)-6-Amino-4-(2,5-diméthyl-3-{[3-(trifluorométhyl)-1H-pyrazol-1-yl]méthyl}phényl)-3-méthyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]phenyl]-2,4-dihydro-3-methyl-, (4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 660.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.2±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.03
ACD/KOC (pH 5.5): 2252.54
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.23
ACD/KOC (pH 7.4): 2253.85
Polar Surface Area: 106 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 292.8±7.0 cm3

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