ChemSpider 2D Image | 6-Amino-N-[3-(1H-imidazol-1-yl)propyl]-1-(4-methylbenzyl)-4-(1H-pyrrol-2-yl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide | C26H26F3N7O2

6-Amino-N-[3-(1H-imidazol-1-yl)propyl]-1-(4-methylbenzyl)-4-(1H-pyrrol-2-yl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC26H26F3N7O2
  • Average mass525.526 Da
  • Monoisotopic mass525.210022 Da
  • ChemSpider ID119690507

More details:

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

6-Amino-N-[3-(1H-imidazol-1-yl)propyl]-1-(4-methylbenzyl)-4-(1H-pyrrol-2-yl)-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
6-Amino-N-[3-(1H-imidazol-1-yl)propyl]-1-(4-methylbenzyl)-4-(1H-pyrrol-2-yl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
6-Amino-N-[3-(1H-imidazol-1-yl)propyl]-1-(4-méthylbenzyl)-4-(1H-pyrrol-2-yl)-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-N-[3-(1H-imidazol-1-yl)propyl]-1-[(4-methylphenyl)methyl]-4-(1H-pyrrol-2-yl)-3-(trifluoromethyl)- [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: 766.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.5±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 20.67
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 39.42
ACD/KOC (pH 7.4): 439.24
Polar Surface Area: 116 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 362.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement