ChemSpider 2D Image | (5-{1-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}-1H-pyrazol-1-yl)acetic acid | C17H22ClN5O3

(5-{1-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}-1H-pyrazol-1-yl)acetic acid

  • Molecular FormulaC17H22ClN5O3
  • Average mass379.841 Da
  • Monoisotopic mass379.141113 Da
  • ChemSpider ID52572636

More details:

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

(5-{1-[(4-Chlor-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}-1H-pyrazol-1-yl)essigsäure [German] [ACD/IUPAC Name]
(5-{1-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}-1H-pyrazol-1-yl)acetic acid [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 5-[1-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl]- [ACD/Index Name]
Acide (5-{1-[2-(4-chloro-3,5-diméthyl-1H-pyrazol-1-yl)acétyl]-3-pipéridinyl}-1H-pyrazol-1-yl)acétique [French] [ACD/IUPAC Name]
(5-{1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]piperidin-3-yl}-1H-pyrazol-1-yl)acetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 98.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 261.9±7.0 cm3

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