Cas no 1172461-39-0 (4-Chloro-1-ethyl-3-methyl-1H-pyrazole)

4-Chloro-1-ethyl-3-methyl-1H-pyrazole structure
1172461-39-0 structure
Product Name:4-Chloro-1-ethyl-3-methyl-1H-pyrazole
CAS No:1172461-39-0
MF:C6H9ClN2
MW:144.602060079575
MDL:MFCD12026908
CID:3159618
PubChem ID:25219332
Update Time:2025-11-01

4-Chloro-1-ethyl-3-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-ethyl-3-methyl-1H-pyrazole
    • ALBB-004445
    • 4-chloro-1-ethyl-3-methylpyrazole
    • 1172461-39-0
    • SCHEMBL13440864
    • EN300-232331
    • AKOS002656983
    • STK503173
    • MDL: MFCD12026908
    • Inchi: 1S/C6H9ClN2/c1-3-9-4-6(7)5(2)8-9/h4H,3H2,1-2H3
    • InChI Key: LFWSZFJZUSEWEB-UHFFFAOYSA-N
    • SMILES: ClC1=CN(CC)N=C1C

Computed Properties

  • Exact Mass: 144.0454260Da
  • Monoisotopic Mass: 144.0454260Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • 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: 1.6
  • Topological Polar Surface Area: 17.8?2

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Additional information on 4-Chloro-1-ethyl-3-methyl-1H-pyrazole

Comprehensive Overview of 4-Chloro-1-ethyl-3-methyl-1H-pyrazole (CAS No. 1172461-39-0)

4-Chloro-1-ethyl-3-methyl-1H-pyrazole (CAS No. 1172461-39-0) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a chloro-substituted pyrazole core, makes it a valuable intermediate in synthetic chemistry. Researchers are increasingly exploring its applications in drug discovery, particularly in the development of kinase inhibitors and anti-inflammatory agents. The compound's ethyl and methyl substituents enhance its lipophilicity, which is critical for bioavailability optimization.

In recent years, the demand for pyrazole derivatives like 4-Chloro-1-ethyl-3-methyl-1H-pyrazole has surged due to their versatility in medicinal chemistry. A trending topic in scientific forums is the role of such compounds in targeting protein-protein interactions (PPIs), a hot area in oncology research. Additionally, its potential as a building block for crop protection agents aligns with the growing focus on sustainable agriculture. Users frequently search for "pyrazole-based drug candidates" or "chloro-substituted heterocycles," reflecting the compound's relevance in cutting-edge applications.

The synthesis of CAS No. 1172461-39-0 typically involves multi-step reactions, including cyclization and halogenation processes. Analytical techniques such as NMR spectroscopy and HPLC-MS are employed to confirm its purity, a critical factor for regulatory compliance. Industry professionals often inquire about "scalable synthesis methods for pyrazoles" or "QC protocols for heterocyclic intermediates," underscoring the need for standardized production workflows. The compound's stability under various pH conditions also makes it a candidate for formulation studies in drug delivery systems.

From an SEO perspective, keywords like "4-Chloro-1-ethyl-3-methyl-1H-pyrazole supplier" or "CAS 1172461-39-0 technical data" are highly searched, indicating commercial interest. Environmental considerations are another hotspot, with queries such as "biodegradability of pyrazole derivatives" gaining traction. This aligns with global trends toward green chemistry, where researchers seek eco-friendly synthetic routes for such intermediates.

In conclusion, 4-Chloro-1-ethyl-3-methyl-1H-pyrazole represents a nexus of innovation across multiple disciplines. Its structural features and adaptability position it as a key player in advancing both therapeutic and agricultural solutions. As AI-driven drug discovery accelerates, compounds like this will likely see expanded utility, making them a focal point for R&D investment.

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