Cas no 881668-66-2 (1-(benzenesulfonyl)-3-methyl-1H-pyrazole)

1-(Benzenesulfonyl)-3-methyl-1H-pyrazole is a heterocyclic compound featuring a pyrazole core substituted with a benzenesulfonyl group at the 1-position and a methyl group at the 3-position. This structure imparts stability and reactivity, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The benzenesulfonyl moiety enhances electrophilic character, facilitating further functionalization, while the methyl group contributes to steric and electronic modulation. Its well-defined chemical properties allow for precise control in reactions such as cross-coupling and nucleophilic substitutions. The compound is typically characterized by high purity and consistent performance, ensuring reliability in research and industrial applications.
1-(benzenesulfonyl)-3-methyl-1H-pyrazole structure
881668-66-2 structure
Product Name:1-(benzenesulfonyl)-3-methyl-1H-pyrazole
CAS No:881668-66-2
MF:C10H10N2O2S
MW:222.263600826263
MDL:MFCD07361329
CID:4285590
PubChem ID:2992104
Update Time:2025-06-09

1-(benzenesulfonyl)-3-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 3-methyl-1-(phenylsulfonyl)-
    • 3-methyl-1-(phenylsulfonyl)-1H-pyrazole
    • HMS1603P04
    • Z2044810292
    • 1-Benzenesulfonyl-3-methylpyrazole
    • 1-(benzenesulfonyl)-3-methyl-1H-pyrazole
    • DB-094322
    • 1-(benzenesulfonyl)-3-methylpyrazole
    • 881668-66-2
    • F3127-0649
    • CGMGMNUBPWIFEJ-UHFFFAOYSA-N
    • AP-263/42868666
    • AKOS002933185
    • SCHEMBL2762763
    • MDL: MFCD07361329
    • Inchi: 1S/C10H10N2O2S/c1-9-7-8-12(11-9)15(13,14)10-5-3-2-4-6-10/h2-8H,1H3
    • InChI Key: CGMGMNUBPWIFEJ-UHFFFAOYSA-N
    • SMILES: N1(S(C2=CC=CC=C2)(=O)=O)C=CC(C)=N1

Computed Properties

  • Exact Mass: 222.04629874Da
  • Monoisotopic Mass: 222.04629874Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 304
  • 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: 60.3?2

1-(benzenesulfonyl)-3-methyl-1H-pyrazole Pricemore >>

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Additional information on 1-(benzenesulfonyl)-3-methyl-1H-pyrazole

1-(Benzenesulfonyl)-3-methyl-1H-pyrazole (CAS No. 881668-66-2): A Comprehensive Overview

1-(Benzenesulfonyl)-3-methyl-1H-pyrazole, with the CAS No. 881668-66-2, is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry and material science. This compound, characterized by its unique pyrazole core and benzenesulfonyl moiety, serves as a versatile building block for synthesizing more complex molecules. Its molecular structure, C10H10N2O2S, offers a balance of reactivity and stability, making it a valuable intermediate in pharmaceutical research and industrial applications.

The 1-(benzenesulfonyl)-3-methyl-1H-pyrazole structure is particularly notable for its potential in drug discovery. Researchers have explored its role as a scaffold for designing inhibitors targeting enzymes like kinases and proteases, which are critical in treating diseases such as cancer and inflammation. The methyl group at the 3-position and the benzenesulfonyl group at the 1-position contribute to its lipophilicity and binding affinity, key factors in optimizing drug-like properties. Recent studies highlight its utility in high-throughput screening campaigns, where its modularity allows for rapid derivatization.

In addition to pharmaceutical applications, CAS No. 881668-66-2 has found use in agrochemicals and functional materials. Its sulfonyl group enhances stability under environmental conditions, making it suitable for formulating crop protection agents. Meanwhile, its heterocyclic nature lends itself to applications in organic electronics, where it can modify charge transport properties in semiconducting polymers. This dual utility aligns with growing trends in sustainable chemistry and green synthesis, as industries seek eco-friendly alternatives.

The synthesis of 1-(benzenesulfonyl)-3-methyl-1H-pyrazole typically involves condensation reactions between hydrazine derivatives and β-diketones, followed by sulfonylation. Advances in catalytic methods have improved yields and reduced waste, addressing the demand for atom-efficient processes. Analytical techniques like NMR, HPLC, and mass spectrometry are employed to ensure purity, a critical factor given its use in sensitive applications. These methodologies are frequently discussed in scientific forums and patent literature, reflecting the compound's commercial relevance.

From an SEO perspective, queries such as "1-(benzenesulfonyl)-3-methyl-1H-pyrazole uses" or "CAS 881668-66-2 synthesis" are increasingly common, indicating strong interest from academic and industrial audiences. Topics like "pyrazole derivatives in drug discovery" and "sulfonyl-containing heterocycles" also trend in AI-driven research tools, underscoring the compound's interdisciplinary appeal. By integrating these keywords, this article aims to bridge technical depth with accessibility, catering to both experts and newcomers.

In summary, 1-(benzenesulfonyl)-3-methyl-1H-pyrazole (CAS No. 881668-66-2) exemplifies the synergy between structural ingenuity and practical utility. Its applications span life sciences and advanced materials, driven by evolving research paradigms and industrial needs. As innovation accelerates, this compound will likely remain a focal point in discussions about molecular design and sustainable technology.

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