ChemSpider 2D Image | [1-[4-(4-Fluorophenyl)-5-methyl-2-pyrimidinyl]-5-(2-thienyl)-1H-pyrazol-4-yl][4-(2-hydroxyethyl)-1-piperazinyl]methanone | C25H25FN6O2S

[1-[4-(4-Fluorophenyl)-5-methyl-2-pyrimidinyl]-5-(2-thienyl)-1H-pyrazol-4-yl][4-(2-hydroxyethyl)-1-piperazinyl]methanone

  • Molecular FormulaC25H25FN6O2S
  • Average mass492.568 Da
  • Monoisotopic mass492.174377 Da
  • ChemSpider ID22245184

More details:

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

[1-[4-(4-Fluorophenyl)-5-methyl-2-pyrimidinyl]-5-(2-thienyl)-1H-pyrazol-4-yl][4-(2-hydroxyethyl)-1-piperazinyl]methanone
{1-[4-(4-Fluorophenyl)-5-methyl-2-pyrimidinyl]-5-(2-thienyl)-1H-pyrazol-4-yl}[4-(2-hydroxyethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
{1-[4-(4-Fluorophényl)-5-méthyl-2-pyrimidinyl]-5-(2-thiényl)-1H-pyrazol-4-yl}[4-(2-hydroxyéthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
{1-[4-(4-Fluorphenyl)-5-methyl-2-pyrimidinyl]-5-(2-thienyl)-1H-pyrazol-4-yl}[4-(2-hydroxyethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
1185365-45-0 [RN]
Methanone, [1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-5-(2-thienyl)-1H-pyrazol-4-yl][4-(2-hydroxyethyl)-1-piperazinyl]- [ACD/Index Name]
2-(4-{[1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-5-(2-thienyl)-1H-pyrazol-4-yl]carbonyl}-1-piperazinyl)ethanol
2-(4-{1-[4-(4-FLUOROPHENYL)-5-METHYLPYRIMIDIN-2-YL]-5-(THIOPHEN-2-YL)-1H-PYRAZOLE-4-CARBONYL}PIPERAZIN-1-YL)ETHAN-1-OL
2-(4-{1-[4-(4-FLUOROPHENYL)-5-METHYLPYRIMIDIN-2-YL]-5-(THIOPHEN-2-YL)PYRAZOLE-4-CARBONYL}PIPERAZIN-1-YL)ETHANOL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.0±35.7 °C
Index of Refraction: 1.701
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 32.58
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.75
ACD/KOC (pH 7.4): 148.69
Polar Surface Area: 116 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 349.6±7.0 cm3

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