Cas no 31272-06-7 (5-chloro-1-ethyl-3-methyl-1H-pyrazole)

5-Chloro-1-ethyl-3-methyl-1H-pyrazole is a halogenated pyrazole derivative characterized by its chloro, ethyl, and methyl functional groups. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of agrochemicals, pharmaceuticals, and specialty chemicals. Its pyrazole core offers structural rigidity and reactivity, facilitating further functionalization. The chloro substituent enhances electrophilic reactivity, while the ethyl and methyl groups contribute to lipophilicity, influencing solubility and binding properties. This compound is valued for its stability under standard conditions and its utility in heterocyclic chemistry. It is commonly employed in cross-coupling reactions, nucleophilic substitutions, and as a precursor for more complex pyrazole-based scaffolds.
5-chloro-1-ethyl-3-methyl-1H-pyrazole structure
31272-06-7 structure
Product Name:5-chloro-1-ethyl-3-methyl-1H-pyrazole
CAS No:31272-06-7
MF:C6H9ClN2
MW:144.602060079575
CID:3935939
PubChem ID:12061627
Update Time:2025-05-24

5-chloro-1-ethyl-3-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 5-chloro-1-ethyl-3-methyl-
    • 5-chloro-1-ethyl-3-methyl-1H-pyrazole
    • CS-0237639
    • GBA27206
    • 31272-06-7
    • 5-chloro-1-ethyl-3-methylpyrazole
    • EN300-185914
    • AKOS006276453
    • SCHEMBL22090233
    • 1-ethyl-3-methyl-5-chloropyrazole
    • Inchi: 1S/C6H9ClN2/c1-3-9-6(7)4-5(2)8-9/h4H,3H2,1-2H3
    • InChI Key: ZLNJYINENJTGCF-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C)=NN1CC

Computed Properties

  • Exact Mass: 144.0454260g/mol
  • Monoisotopic Mass: 144.0454260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 97.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 17.8?2

5-chloro-1-ethyl-3-methyl-1H-pyrazole Pricemore >>

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Additional information on 5-chloro-1-ethyl-3-methyl-1H-pyrazole

5-Chloro-1-Ethyl-3-Methyl-1H-Pyrazole: A Comprehensive Overview

The compound with CAS No 31272-06-7, known as 5-chloro-1-ethyl-3-methyl-1H-pyrazole, is a heterocyclic aromatic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound belongs to the pyrazole family, which is a five-membered ring containing two nitrogen atoms. The pyrazole structure is highly versatile, making it a valuable scaffold for various applications. The 5-chloro substitution adds electronic diversity, while the 1-ethyl and 3-methyl groups contribute to its steric and electronic properties, enhancing its reactivity and utility in different chemical reactions.

Recent studies have highlighted the potential of 5-chloro-1-ethyl-3-methyl-1H-pyrazole as a precursor for synthesizing bioactive compounds. Researchers have explored its role in drug discovery, particularly in the development of anti-inflammatory and anticancer agents. The compound's ability to form stable complexes with metal ions has also been investigated, opening avenues for its use in catalysis and coordination chemistry.

The synthesis of 5-chloro-1-ethyl-3-methyl-1H-pyrazole typically involves a multi-step process that includes nucleophilic substitution, condensation reactions, and oxidation steps. One of the most efficient methods reported in recent literature involves the reaction of an appropriate chlorinated intermediate with an aldehyde or ketone under acidic conditions. This approach not only ensures high yield but also allows for fine-tuning of the substituents to achieve desired properties.

In terms of applications, 5-chloro-1-ethyl-3-methyl-1H-pyrazole has shown promise in agrochemicals, particularly as a component in herbicides and fungicides. Its ability to inhibit key enzymes involved in plant growth makes it a potential candidate for crop protection products. Additionally, the compound has been studied for its role in polymer chemistry, where it serves as a building block for constructing advanced materials with tailored properties.

Recent advancements in computational chemistry have enabled researchers to predict the electronic properties and reactivity of 5-chloro-1-ethyl-3-methyl-1H-pyrazole with unprecedented accuracy. These studies have provided insights into its interaction with biological systems, paving the way for its use in drug delivery systems and nanotechnology.

Despite its numerous applications, the environmental impact of 5-chloro-1-ethyl-3-methyl-1H-pyrazole remains a critical area of research. Studies are underway to assess its biodegradability and toxicity levels under various environmental conditions. These efforts aim to ensure that the compound can be safely integrated into industrial processes without posing risks to ecosystems.

In conclusion, 5-chloro-1-ethyl-3-methyl-1H-pyrazole stands as a testament to the ingenuity of modern organic chemistry. Its unique structure, combined with cutting-edge research findings, positions it as a key player in diverse scientific domains. As ongoing investigations continue to unlock its full potential, this compound is poised to make significant contributions to both academic and industrial advancements.

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