ChemSpider 2D Image | [1-(Difluoromethyl)-1H-imidazol-2-yl]methyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole-4-carboxylate | C16H17F2N5O2

[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC16H17F2N5O2
  • Average mass349.335 Da
  • Monoisotopic mass349.135040 Da
  • ChemSpider ID30076155

More details:

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

[1-(Difluormethyl)-1H-imidazol-2-yl]methyl-5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
1333981-85-3 [RN]
1H-Pyrazole-4-carboxylic acid, 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-, [1-(difluoromethyl)-1H-imidazol-2-yl]methyl ester [ACD/Index Name]
5-(2,5-Diméthyl-1H-pyrrol-1-yl)-1-méthyl-1H-pyrazole-4-carboxylate de [1-(difluorométhyl)-1H-imidazol-2-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 88.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.74
ACD/KOC (pH 5.5): 561.99
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.76
ACD/KOC (pH 7.4): 562.21
Polar Surface Area: 67 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 253.4±7.0 cm3

Click to predict properties on the Chemicalize site


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