ChemSpider 2D Image | 1-[{[5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino]-3-isopropoxy-2-propanol | C26H34ClN3O4

1-[{[5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino]-3-isopropoxy-2-propanol

  • Molecular FormulaC26H34ClN3O4
  • Average mass488.019 Da
  • Monoisotopic mass487.223785 Da
  • ChemSpider ID22692615

More details:

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

1-[{[5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino]-3-isopropoxy-2-propanol [ACD/IUPAC Name]
1-[{[5-(4-Chlorophénoxy)-3-méthyl-1-phényl-1H-pyrazol-4-yl]méthyl}(2-méthoxyéthyl)amino]-3-isopropoxy-2-propanol [French] [ACD/IUPAC Name]
1-[{[5-(4-Chlorphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino]-3-isopropoxy-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-[[[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl](2-methoxyethyl)amino]-3-(1-methylethoxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.3±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 134.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 890.88
ACD/KOC (pH 5.5): 2976.03
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3660.86
ACD/KOC (pH 7.4): 12229.28
Polar Surface Area: 69 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 414.1±7.0 cm3

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