ChemSpider 2D Image | 1-{1-[1-(3,4-Difluorophenyl)ethyl]-3-isopropyl-1H-pyrazol-5-yl}-N,N-dimethylmethanamine | C17H23F2N3

1-{1-[1-(3,4-Difluorophenyl)ethyl]-3-isopropyl-1H-pyrazol-5-yl}-N,N-dimethylmethanamine

  • Molecular FormulaC17H23F2N3
  • Average mass307.381 Da
  • Monoisotopic mass307.186005 Da
  • ChemSpider ID117073887

More details:

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

1-{1-[1-(3,4-Difluorophenyl)ethyl]-3-isopropyl-1H-pyrazol-5-yl}-N,N-dimethylmethanamine [ACD/IUPAC Name]
1-{1-[1-(3,4-Difluorophényl)éthyl]-3-isopropyl-1H-pyrazol-5-yl}-N,N-diméthylméthanamine [French] [ACD/IUPAC Name]
1-{1-[1-(3,4-Difluorphenyl)ethyl]-3-isopropyl-1H-pyrazol-5-yl}-N,N-dimethylmethanamin [German] [ACD/IUPAC Name]
1H-Pyrazole-5-methanamine, 1-[1-(3,4-difluorophenyl)ethyl]-N,N-dimethyl-3-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 374.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 180.1±27.9 °C
Index of Refraction: 1.530
Molar Refractivity: 85.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 6.02
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 43.22
ACD/KOC (pH 7.4): 239.51
Polar Surface Area: 21 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 30.7±7.0 dyne/cm
Molar Volume: 277.0±7.0 cm3

Click to predict properties on the Chemicalize site


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