ChemSpider 2D Image | 6-Amino-1-methyl-4-(3-nitrophenyl)-N-(4-pyridinylmethyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide | C21H17F3N6O4

6-Amino-1-methyl-4-(3-nitrophenyl)-N-(4-pyridinylmethyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC21H17F3N6O4
  • Average mass474.393 Da
  • Monoisotopic mass474.126343 Da
  • ChemSpider ID119587261

More details:

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

6-Amino-1-methyl-4-(3-nitrophenyl)-N-(4-pyridinylmethyl)-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
6-Amino-1-methyl-4-(3-nitrophenyl)-N-(4-pyridinylmethyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
6-Amino-1-méthyl-4-(3-nitrophényl)-N-(4-pyridinylméthyl)-3-(trifluorométhyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carboxamide, 6-amino-1,4-dihydro-1-methyl-4-(3-nitrophenyl)-N-(4-pyridinylmethyl)-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 653.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 14.85
ACD/KOC (pH 5.5): 213.16
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.40
ACD/KOC (pH 7.4): 321.56
Polar Surface Area: 141 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 300.2±7.0 cm3

Click to predict properties on the Chemicalize site


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