ChemSpider 2D Image | 1-(1-Benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)-N-[(1-benzyl-3-pyrrolidinyl)methyl]-N-methylmethanamine | C25H31ClN4

1-(1-Benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)-N-[(1-benzyl-3-pyrrolidinyl)methyl]-N-methylmethanamine

  • Molecular FormulaC25H31ClN4
  • Average mass422.993 Da
  • Monoisotopic mass422.223724 Da
  • ChemSpider ID30263553

More details:

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

1-(1-Benzyl-5-chlor-3-methyl-1H-pyrazol-4-yl)-N-[(1-benzyl-3-pyrrolidinyl)methyl]-N-methylmethanamin [German] [ACD/IUPAC Name]
1-(1-Benzyl-5-chloro-3-methyl-1H-pyrazol-4-yl)-N-[(1-benzyl-3-pyrrolidinyl)methyl]-N-methylmethanamine [ACD/IUPAC Name]
1-(1-Benzyl-5-chloro-3-méthyl-1H-pyrazol-4-yl)-N-[(1-benzyl-3-pyrrolidinyl)méthyl]-N-méthylméthanamine [French] [ACD/IUPAC Name]
1H-Pyrazole-4-methanamine, 5-chloro-N,3-dimethyl-1-(phenylmethyl)-N-[[1-(phenylmethyl)-3-pyrrolidinyl]methyl]- [ACD/Index Name]
[(1-BENZYL-5-CHLORO-3-METHYL-1H-PYRAZOL-4-YL)METHYL][(1-BENZYLPYRROLIDIN-3-YL)METHYL]METHYLAMINE
[(1-BENZYL-5-CHLORO-3-METHYLPYRAZOL-4-YL)METHYL][(1-BENZYLPYRROLIDIN-3-YL)METHYL]METHYLAMINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 539.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 12.00
ACD/KOC (pH 7.4): 52.29
Polar Surface Area: 24 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 365.4±7.0 cm3

Click to predict properties on the Chemicalize site


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