ChemSpider 2D Image | 4-({1-[4-(3-Fluoro-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl}carbonyl)-1-piperazinecarbaldehyde | C21H21FN6O3

4-({1-[4-(3-Fluoro-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl}carbonyl)-1-piperazinecarbaldehyde

  • Molecular FormulaC21H21FN6O3
  • Average mass424.428 Da
  • Monoisotopic mass424.165924 Da
  • ChemSpider ID22229826

More details:

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

1-Piperazinecarboxaldehyde, 4-[[1-[4-(3-fluoro-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl]carbonyl]- [ACD/Index Name]
4-({1-[4-(3-Fluor-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl}carbonyl)-1-piperazincarbaldehyd [German] [ACD/IUPAC Name]
4-({1-[4-(3-Fluoro-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl}carbonyl)-1-piperazinecarbaldehyde [ACD/IUPAC Name]
4-({1-[4-(3-Fluoro-4-méthoxyphényl)-2-pyrimidinyl]-5-méthyl-1H-pyrazol-4-yl}carbonyl)-1-pipérazinecarbaldéhyde [French] [ACD/IUPAC Name]
4-{1-[4-(3-FLUORO-4-METHOXYPHENYL)PYRIMIDIN-2-YL]-5-METHYL-1H-PYRAZOLE-4-CARBONYL}PIPERAZINE-1-CARBALDEHYDE
4-{1-[4-(3-FLUORO-4-METHOXYPHENYL)PYRIMIDIN-2-YL]-5-METHYLPYRAZOLE-4-CARBONYL}PIPERAZINE-1-CARBALDEHYDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.4±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.66
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.81
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.82
Polar Surface Area: 93 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 305.1±7.0 cm3

Click to predict properties on the Chemicalize site


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