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Search term: AIXYWFIHNYBJKB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [5-(2-Fluorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(3-pyridinyl)-1-piperidinyl]methanone | C22H23FN4O2

[5-(2-Fluorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(3-pyridinyl)-1-piperidinyl]methanone

  • Molecular FormulaC22H23FN4O2
  • Average mass394.442 Da
  • Monoisotopic mass394.180511 Da
  • ChemSpider ID29416397

More details:

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

[5-(2-Fluorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(3-pyridinyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[5-(2-Fluorophénoxy)-1,3-diméthyl-1H-pyrazol-4-yl][2-(3-pyridinyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
[5-(2-Fluorphenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(3-pyridinyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [5-(2-fluorophenoxy)-1,3-dimethyl-1H-pyrazol-4-yl][2-(3-pyridinyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.2±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 109.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 43.21
ACD/KOC (pH 5.5): 425.34
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.03
ACD/KOC (pH 7.4): 827.19
Polar Surface Area: 60 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 308.4±7.0 cm3

Click to predict properties on the Chemicalize site


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