ChemSpider 2D Image | (5-{1-[(4-Chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}-1H-pyrazol-1-yl)acetic acid | C16H20ClN5O3

(5-{1-[(4-Chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}-1H-pyrazol-1-yl)acetic acid

  • Molecular FormulaC16H20ClN5O3
  • Average mass365.815 Da
  • Monoisotopic mass365.125458 Da
  • ChemSpider ID52620008

More details:

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

(5-{1-[(4-Chlor-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}-1H-pyrazol-1-yl)essigsäure [German] [ACD/IUPAC Name]
(5-{1-[(4-Chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}-1H-pyrazol-1-yl)acetic acid [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 5-[1-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl]- [ACD/Index Name]
Acide (5-{1-[(4-chloro-1-éthyl-1H-pyrazol-3-yl)carbonyl]-3-pipéridinyl}-1H-pyrazol-1-yl)acétique [French] [ACD/IUPAC Name]
(5-{1-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]piperidin-3-yl}-1H-pyrazol-1-yl)acetic acid
{5-[1-(4-CHLORO-1-ETHYLPYRAZOLE-3-CARBONYL)PIPERIDIN-3-YL]PYRAZOL-1-YL}ACETIC ACID
2-{5-[1-(4-CHLORO-1-ETHYL-1H-PYRAZOLE-3-CARBONYL)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: 628.0±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: 333.6±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 246.7±7.0 cm3

Click to predict properties on the Chemicalize site


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