ChemSpider 2D Image | (4R)-6-Amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C23H19F3N4O3

(4R)-6-Amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC23H19F3N4O3
  • Average mass456.417 Da
  • Monoisotopic mass456.140930 Da
  • ChemSpider ID62466071

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.3±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 695.31
ACD/KOC (pH 5.5): 3766.78
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 695.66
ACD/KOC (pH 7.4): 3768.67
Polar Surface Area: 106 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 315.9±5.0 cm3

Click to predict properties on the Chemicalize site


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