ChemSpider 2D Image | Ethyl 5-(difluoromethyl)-1-({methyl[4-(1-piperidinyl)benzyl]amino}methyl)-1H-pyrazole-4-carboxylate | C21H28F2N4O2

Ethyl 5-(difluoromethyl)-1-({methyl[4-(1-piperidinyl)benzyl]amino}methyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID33907201

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-(difluoromethyl)-1-[[methyl[[4-(1-piperidinyl)phenyl]methyl]amino]methyl]-, ethyl ester [ACD/Index Name]
5-(Difluorométhyl)-1-({méthyl[4-(1-pipéridinyl)benzyl]amino}méthyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(difluoromethyl)-1-({methyl[4-(1-piperidinyl)benzyl]amino}methyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-(difluormethyl)-1-({methyl[4-(1-piperidinyl)benzyl]amino}methyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC 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: 534.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.8±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 31.00
ACD/KOC (pH 5.5): 154.77
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 689.36
ACD/KOC (pH 7.4): 3441.97
Polar Surface Area: 51 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 329.9±7.0 cm3

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