ChemSpider 2D Image | {3-[1-(4-Chloro-3-fluorobenzoyl)-3-piperidinyl]-1H-pyrazol-1-yl}acetic acid | C17H17ClFN3O3

{3-[1-(4-Chloro-3-fluorobenzoyl)-3-piperidinyl]-1H-pyrazol-1-yl}acetic acid

  • Molecular FormulaC17H17ClFN3O3
  • Average mass365.787 Da
  • Monoisotopic mass365.094238 Da
  • ChemSpider ID52619354

More details:

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

{3-[1-(4-Chlor-3-fluorbenzoyl)-3-piperidinyl]-1H-pyrazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{3-[1-(4-Chloro-3-fluorobenzoyl)-3-piperidinyl]-1H-pyrazol-1-yl}acetic acid [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 3-[1-(4-chloro-3-fluorobenzoyl)-3-piperidinyl]- [ACD/Index Name]
Acide {3-[1-(4-chloro-3-fluorobenzoyl)-3-pipéridinyl]-1H-pyrazol-1-yl}acétique [French] [ACD/IUPAC Name]
{3-[1-(4-chloro-3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-1-yl}acetic acid
{3-[1-(4-CHLORO-3-FLUOROBENZOYL)PIPERIDIN-3-YL]PYRAZOL-1-YL}ACETIC ACID
2-{3-[1-(4-CHLORO-3-FLUOROBENZOYL)PIPERIDIN-3-YL]-1H-PYRAZOL-1-YL}ACETIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 604.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 251.0±7.0 cm3

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