ChemSpider 2D Image | 6-Amino-N-[2-(dimethylamino)ethyl]-1-(4-fluorobenzyl)-4-(4-isopropylphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide | C28H31F4N5O2

6-Amino-N-[2-(dimethylamino)ethyl]-1-(4-fluorobenzyl)-4-(4-isopropylphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC28H31F4N5O2
  • Average mass545.572 Da
  • Monoisotopic mass545.241394 Da
  • ChemSpider ID118089097

More details:

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

6-Amino-N-[2-(dimethylamino)ethyl]-1-(4-fluorbenzyl)-4-(4-isopropylphenyl)-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
6-Amino-N-[2-(dimethylamino)ethyl]-1-(4-fluorobenzyl)-4-(4-isopropylphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
6-Amino-N-[2-(diméthylamino)éthyl]-1-(4-fluorobenzyl)-4-(4-isopropylphényl)-3-(trifluorométhyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carboxamide, 6-amino-N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-1,4-dihydro-4-[4-(1-methylethyl)phenyl]-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.9±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 4.39
ACD/KOC (pH 5.5): 21.57
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 222.98
ACD/KOC (pH 7.4): 1094.35
Polar Surface Area: 85 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 413.6±7.0 cm3

Click to predict properties on the Chemicalize site


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