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Celecoxib

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Identification
Molecular formula
C17H14F3N3O2S
CAS number
169590-42-5
IUPAC name
1,5-dimethyl-4-[3-oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenyl-pyrazol-3-one
State
State
At room temperature, Celecoxib is a solid.
Melting point (Celsius)
159.00
Melting point (Kelvin)
432.15
Boiling point (Celsius)
655.00
Boiling point (Kelvin)
928.15
General information
Molecular weight
381.37g/mol
Molar mass
381.3720g/mol
Density
1.4086g/cm3
Appearence

Celecoxib typically appears as a white or off-white crystalline powder.

Comment on solubility

Solubility of 1,5-Dimethyl-4-[3-Oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenyl-pyrazol-3-one

The solubility of 1,5-dimethyl-4-[3-oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenyl-pyrazol-3-one presents an intriguing case. This compound, being a complex organic molecule, is influenced by a variety of factors that affect its solubility in different solvents.

Factors Influencing Solubility:

  • Polarity: The presence of multiple aromatic groups and the pyrazolone structure can impact the overall polarity of the molecule.
  • Functional Groups: The ketone and potential thiol functionalities may interact variably with polar and non-polar solvents.
  • Temperature: Solubility can significantly increase with temperature, given that many organic compounds dissolve better when heated.
  • Solvent Type: Non-polar solvents such as hexane may not dissolve this compound effectively, while polar solvents like ethanol or DMSO may enhance the solubility.

Due to these characteristics, it is often described that “__like dissolves like__,” which can guide predictions about the solubility behavior of this compound. In summary, while specific solubility values may not be readily available in literature, understanding its structural features allows scientists to infer its solubility trends in different environments. When conducting experiments, exploring various solvents and conditions will likely yield the most informative insights.

Interesting facts

Interesting Facts about 1,5-Dimethyl-4-[3-oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenyl-pyrazol-3-one

This intriguing compound belongs to the family of pyrazolone derivatives, which are known for their diverse biological activities. The structure of this compound is particularly noteworthy because it features:

  • Multiple Functional Groups: Its rich array includes a pyrazolone core, a ketone group, and a phenylsulfanyl moiety, making it a promising candidate for further investigation in medicinal chemistry.
  • Potential Biological Activity: Compounds of this nature have been explored for their anti-inflammatory, analgesic, and anti-cancer properties. This opens a door to possible pharmaceutical applications.
  • Versatile Synthesis: The synthetic pathways to create such complex structures can be quite varied, allowing chemists to explore different conditions and reagents for optimal yield and efficiency.
  • Research Interest: Studies have suggested that modifications to the phenyl groups or the positioning of the methyl groups can significantly impact biological activity, making this compound an excellent platform for structural optimization.

As noted by chemists, *"The more we explore the realm of aromatic heterocycles, the more we uncover compounds with unexpected properties and applications."* This compound exemplifies that very notion, with its potential to unveil new therapeutic avenues when studied rigorously.

In summary, 1,5-dimethyl-4-[3-oxo-3-(4-phenylsulfanylphenyl)prop-1-enyl]-2-phenyl-pyrazol-3-one stands at the intersection of synthetic organic chemistry and medicinal application, offering a plethora of possibilities for future research.