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Search term: OKTJXLZKXVWLTD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Amino-5-{1-[4-(1-piperidinylmethyl)benzyl]-1H-indol-6-yl}-1H-pyrazole-4-carbonitrile | C25H26N6

3-Amino-5-{1-[4-(1-piperidinylmethyl)benzyl]-1H-indol-6-yl}-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC25H26N6
  • Average mass410.514 Da
  • Monoisotopic mass410.221893 Da
  • ChemSpider ID128712324

More details:

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

1H-Pyrazole-4-carbonitrile, 3-amino-5-[1-[[4-(1-piperidinylmethyl)phenyl]methyl]-1H-indol-6-yl]- [ACD/Index Name]
3-Amino-5-{1-[4-(1-piperidinylmethyl)benzyl]-1H-indol-6-yl}-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Amino-5-{1-[4-(1-piperidinylmethyl)benzyl]-1H-indol-6-yl}-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-Amino-5-{1-[4-(1-pipéridinylméthyl)benzyl]-1H-indol-6-yl}-1H-pyrazole-4-carbonitrile [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: 736.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 122.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 5.54
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 23.92
ACD/KOC (pH 7.4): 114.08
Polar Surface Area: 87 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 316.7±7.0 cm3

Click to predict properties on the Chemicalize site


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