ChemSpider 2D Image | 2-(4-(4-Fluorophenyl)-5-(1h-Pyrrol-1-Yl)-1h-Pyrazol-1-Yl)-N,N-Dimethylethanamine | C17H19FN4

2-(4-(4-Fluorophenyl)-5-(1h-Pyrrol-1-Yl)-1h-Pyrazol-1-Yl)-N,N-Dimethylethanamine

  • Molecular FormulaC17H19FN4
  • Average mass298.358 Da
  • Monoisotopic mass298.159363 Da
  • ChemSpider ID35034252

More details:






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

1H-Pyrazole-1-ethanamine, 4-(4-fluorophenyl)-N,N-dimethyl-3-(1H-pyrrol-1-yl)- [ACD/Index Name]
2-(4-(4-Fluorophenyl)-5-(1h-Pyrrol-1-Yl)-1h-Pyrazol-1-Yl)-N,N-Dimethylethanamine
2-[4-(4-Fluorophenyl)-3-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl]-N,N-dimethylethanamine [ACD/IUPAC Name]
2-[4-(4-Fluorophényl)-3-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl]-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
2-[4-(4-Fluorphenyl)-3-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl]-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
1446352-68-6 [RN]
QC5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 447.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.4±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 87.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 4.39
ACD/KOC (pH 7.4): 45.68
Polar Surface Area: 26 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 259.0±7.0 cm3

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