ChemSpider 2D Image | {5-[1-(2,4-Difluoro-3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-3-yl}acetic acid | C18H19F2N3O4

{5-[1-(2,4-Difluoro-3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-3-yl}acetic acid

  • Molecular FormulaC18H19F2N3O4
  • Average mass379.358 Da
  • Monoisotopic mass379.134369 Da
  • ChemSpider ID29559807

More details:

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

{5-[1-(2,4-Difluor-3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-3-yl}essigsäure [German] [ACD/IUPAC Name]
{5-[1-(2,4-Difluoro-3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-3-yl}acetic acid [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 5-[1-(2,4-difluoro-3-methoxybenzoyl)-4-piperidinyl]- [ACD/Index Name]
Acide {5-[1-(2,4-difluoro-3-méthoxybenzoyl)-4-pipéridinyl]-1H-pyrazol-3-yl}acétique [French] [ACD/IUPAC Name]
{5-[1-(2,4-difluoro-3-methoxybenzoyl)piperidin-4-yl]-1H-pyrazol-3-yl}acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.7±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.00
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 270.1±3.0 cm3

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