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3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-benzamide

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Identification
Molecular formula
C19H18BrN3O2
CAS number
872363-17-0
IUPAC name
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-benzamide
State
State

At room temperature, this compound is a solid. It is not highly volatile and requires heating to reach a boiling point, often decomposing before boiling.

Melting point (Celsius)
168.00
Melting point (Kelvin)
441.15
Boiling point (Celsius)
340.00
Boiling point (Kelvin)
613.15
General information
Molecular weight
405.27g/mol
Molar mass
405.2470g/mol
Density
1.4900g/cm3
Appearence

The compound is typically found as a crystalline solid with a pale yellow to light brown color. The crystals can form needle-like structures or other geometric shapes depending on the conditions of crystallization.

Comment on solubility

Solubility of 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-benzamide

The solubility of 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-benzamide in various solvents can be influenced by several factors. This compound is characterized by a relatively complex structure, which can affect its solubility properties. Here are some key considerations:

  • Polarity: Given the presence of polar functional groups, this compound may exhibit better solubility in polar solvents such as water and methanol compared to nonpolar solvents like hexane.
  • Hydrogen Bonding: The ability to form hydrogen bonds with solvent molecules can enhance solubility. The amide group present in the compound can participate in hydrogen bonding, which might aid in its solubility in polar solvents.
  • Temperature Effects: As with many organic compounds, solubility can increase with temperature. Therefore, heating the solvent may improve the dissolution of the compound.
  • Concentration Effects: The solubility may be concentration-dependent, with varying solubility limits at different saturation points.

In conclusion, while specific solubility data for 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-benzamide may not be extensively documented, we can posit that like many organic compounds, its solubility will depend on the interplay of functional groups, polarity, and temperature. As the old adage goes, "Like dissolves like," making it essential to consider solvent characteristics when predicting solubility behaviors.

Interesting facts

Interesting Facts about 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-benzamide

This compound, with its intricate structure, belongs to a class of chemicals known as pyrazoles. Pyrazoles are five-membered heterocyclic compounds that exhibit a variety of biological activities, making them a point of interest in medicinal chemistry. Here are some fascinating aspects of this specific compound:

  • Pharmacological Potential: Compounds containing pyrazole rings often display anti-inflammatory, analgesic, and anti-cancer properties. The specific modifications in this structure, like the bromo and dimethyl groups, can influence these activities.
  • Synthesis Challenges: The synthesis of complex molecules such as this one often requires multiple steps and careful optimization of reaction conditions. This makes understanding synthetic pathways a critical skill for chemists.
  • Structure-Activity Relationship (SAR): Researchers explore how variations in a compound's structure affect its biological activity. This compound serves as an excellent template for SAR studies, particularly in finding new analogs with enhanced pharmaceutical properties.
  • Versatile Applications: Beyond medicinal uses, pyrazoles have applications in agriculture as pesticides and herbicides, demonstrating the broad utility of compounds derived from this heterocyclic scaffold.
  • Popular within Organic Chemistry: The study and application of pyrazoles, such as this one, are prevalent in organic chemistry circuits due to their diverse reactivity and potential for creating complex synthetic intermediates.

In summary, 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-benzamide is not just a compound of interest due to its functional groups, but also for its implications in medicinal chemistry and beyond. As researchers continue to examine its properties, we can anticipate new discoveries that further illuminate the significance of pyrazole derivatives in the field of science.

Synonyms
BENZAMIDE, N-ANTIPYRINYL-m-BROMO-N-METHYL-
15166-14-0
N-Antipyrinyl-m-bromo-N-methylbenzamide
BRN 0571485
DTXSID30164841
5-25-14-00118 (Beilstein Handbook Reference)
DTXCID3087332
TA 5
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methylbenzamide
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylbenzamide
SR-01000232578
SR-01000232578-1