ChemSpider 2D Image | 4-{[(2S)-4,4-Difluoro-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-3-(2,5-dimethoxyphenyl)-1H-pyrazole | C21H28F2N4O2

4-{[(2S)-4,4-Difluoro-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-3-(2,5-dimethoxyphenyl)-1H-pyrazole

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID53582015

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole, 4-[[(2S)-4,4-difluoro-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-3-(2,5-dimethoxyphenyl)- [ACD/Index Name]
4-{[(2S)-4,4-Difluor-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-3-(2,5-dimethoxyphenyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-{[(2S)-4,4-Difluoro-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl}-3-(2,5-dimethoxyphenyl)-1H-pyrazole [ACD/IUPAC Name]
4-{[(2S)-4,4-Difluoro-2-(1-pyrrolidinylméthyl)-1-pyrrolidinyl]méthyl}-3-(2,5-diméthoxyphényl)-1H-pyrazole [French] [ACD/IUPAC 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: 528.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.2±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 6.34
ACD/KOC (pH 7.4): 88.84
Polar Surface Area: 54 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

Click to predict properties on the Chemicalize site


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