Cas no 1023299-43-5 (1-(2-bromoethyl)-4-methyl-1H-pyrazole)

1-(2-Bromoethyl)-4-methyl-1H-pyrazole is a versatile brominated pyrazole derivative commonly employed as a key intermediate in organic synthesis and pharmaceutical research. Its reactive bromoethyl group facilitates efficient alkylation reactions, enabling the introduction of the 4-methylpyrazole moiety into more complex molecular frameworks. This compound is particularly valuable in the development of biologically active molecules, including potential therapeutic agents, due to the pyrazole ring's prevalence in medicinal chemistry. The product exhibits high purity and stability under standard handling conditions, ensuring reliable performance in synthetic applications. Its well-defined structure allows for precise functionalization, making it a useful building block for heterocyclic chemistry and drug discovery programs.
1-(2-bromoethyl)-4-methyl-1H-pyrazole structure
1023299-43-5 structure
Product Name:1-(2-bromoethyl)-4-methyl-1H-pyrazole
CAS No:1023299-43-5
MF:C6H9BrN2
MW:189.053060293198
MDL:MFCD12800644
CID:4559389
PubChem ID:60871746
Update Time:2025-05-27

1-(2-bromoethyl)-4-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Bromoethyl)-4-methyl-1H-pyrazole
    • 1H-Pyrazole, 1-(2-bromoethyl)-4-methyl-
    • 1-(2-bromoethyl)-4-methyl-1H-pyrazole
    • MDL: MFCD12800644
    • Inchi: 1S/C6H9BrN2/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3
    • InChI Key: ZNVBHEBIDPKSAE-UHFFFAOYSA-N
    • SMILES: N1(CCBr)C=C(C)C=N1

Computed Properties

  • Exact Mass: 187.99491g/mol
  • Monoisotopic Mass: 187.99491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 87.1
  • 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
  • Molecular Weight: 189.05g/mol
  • XLogP3: 1.3
  • Topological Polar Surface Area: 17.8?2

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Additional information on 1-(2-bromoethyl)-4-methyl-1H-pyrazole

Recent Advances in the Study of 1-(2-bromoethyl)-4-methyl-1H-pyrazole (CAS: 1023299-43-5) in Chemical Biology and Pharmaceutical Research

1-(2-bromoethyl)-4-methyl-1H-pyrazole (CAS: 1023299-43-5) is a pyrazole derivative that has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug discovery. This compound serves as a versatile intermediate in the synthesis of biologically active molecules, particularly in the development of kinase inhibitors and other therapeutic agents. Recent studies have explored its reactivity, pharmacological properties, and utility in targeted drug design, making it a compound of interest for researchers in the field.

One of the key areas of research involving 1-(2-bromoethyl)-4-methyl-1H-pyrazole is its role as a building block for the synthesis of kinase inhibitors. Kinases are critical targets in cancer therapy, and the ability to modify the pyrazole core with various substituents allows for the creation of compounds with enhanced selectivity and potency. Recent publications have highlighted its use in the development of novel inhibitors targeting specific kinases, such as JAK2 and CDK4/6, which are implicated in various malignancies.

In addition to its applications in kinase inhibitor development, 1-(2-bromoethyl)-4-methyl-1H-pyrazole has been investigated for its potential in other therapeutic areas. For example, researchers have explored its incorporation into small molecules designed to modulate GPCRs (G-protein-coupled receptors) and ion channels, which are important targets for neurological and cardiovascular diseases. The bromoethyl moiety of the compound provides a handle for further functionalization, enabling the attachment of diverse pharmacophores to optimize drug-like properties.

Recent synthetic methodologies have also focused on improving the efficiency and scalability of producing 1-(2-bromoethyl)-4-methyl-1H-pyrazole. Advances in catalysis and green chemistry have led to more sustainable routes for its synthesis, reducing the environmental impact and cost associated with large-scale production. These developments are particularly relevant for pharmaceutical companies looking to incorporate this intermediate into their drug discovery pipelines.

Despite its promising applications, challenges remain in the use of 1-(2-bromoethyl)-4-methyl-1H-pyrazole. Issues such as stability under physiological conditions and potential off-target effects need to be addressed through further research. However, ongoing studies are leveraging computational modeling and high-throughput screening to optimize its derivatives for improved pharmacokinetic and safety profiles.

In conclusion, 1-(2-bromoethyl)-4-methyl-1H-pyrazole (CAS: 1023299-43-5) represents a valuable tool in the toolkit of medicinal chemists. Its versatility and potential for modification make it a key intermediate in the development of next-generation therapeutics. As research continues to uncover new applications and refine synthetic approaches, this compound is poised to play an increasingly important role in chemical biology and pharmaceutical innovation.

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