ChemSpider 2D Image | 4-{[1-Methyl-3-(1-piperidinylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl}benzoic acid | C21H26N4O3

4-{[1-Methyl-3-(1-piperidinylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl}benzoic acid

  • Molecular FormulaC21H26N4O3
  • Average mass382.456 Da
  • Monoisotopic mass382.200500 Da
  • ChemSpider ID21801621

More details:






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

1142210-27-2 [RN]
4-{[1-Methyl-3-(1-piperidinylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[1-Methyl-3-(1-piperidinylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl}benzoic acid [ACD/IUPAC Name]
4-{[1-methyl-3-(piperidin-1-ylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl}benzoic acid
Acide 4-{[1-méthyl-3-(1-pipéridinylcarbonyl)-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[1,4,6,7-tetrahydro-1-methyl-3-(1-piperidinylcarbonyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl]- [ACD/Index Name]
4-((1-Methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)methyl)benzoic acid
4-[[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]benzoic acid
benzoic acid, 4-[[1,4,6,7-tetrahydro-1-methyl-3-(1-piperidinylcarbonyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl]
MFCD12028300 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 628.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.8±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.46
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 284.5±7.0 cm3

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