Cas no 38460-08-1 (1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole)

1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole structure
38460-08-1 structure
Product Name:1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole
CAS No:38460-08-1
MF:C7H11ClN2
MW:158.628640413284
MDL:MFCD00215355
CID:1075738
PubChem ID:1149979
Update Time:2025-07-20

1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole
    • 1-(2-Chloro-ethyl)-3,5-dimethyl-1H-pyrazole
    • 1-(2-chloroethyl)-3,5-dimethylpyrazole
    • BB_SC-7339
    • F8882-0816
    • 38460-08-1
    • 2D-027
    • AKOS000297358
    • CS-0282778
    • SCHEMBL3471417
    • EN300-1263062
    • BBL028397
    • MFCD00215355
    • ZJGHDGBFXNKMPW-UHFFFAOYSA-N
    • STK050537
    • 2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl chloride
    • DTXSID30360760
    • MDL: MFCD00215355
    • Inchi: 1S/C7H11ClN2/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4H2,1-2H3
    • InChI Key: ZJGHDGBFXNKMPW-UHFFFAOYSA-N
    • SMILES: ClCCN1C(C)=CC(C)=N1

Computed Properties

  • Exact Mass: 158.06100
  • Monoisotopic Mass: 158.061076g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 108
  • 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
  • Surface Charge: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • Density: 1.13
  • Boiling Point: 228.3°C at 760 mmHg
  • Flash Point: 91.9°C
  • Refractive Index: 1.535
  • PSA: 17.82000
  • LogP: 1.73870

1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole

Recent Advances in the Study of 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole (CAS: 38460-08-1): A Comprehensive Research Brief

The compound 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole (CAS: 38460-08-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug development and therapeutic interventions. This research brief aims to synthesize the latest findings related to this compound, focusing on its chemical properties, biological activities, and emerging applications in medicine.

Recent studies have highlighted the unique structural features of 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole, which contribute to its reactivity and potential as a building block for more complex molecules. The presence of the chloroethyl group at the 1-position and the dimethyl substitution at the 3- and 5-positions of the pyrazole ring confer distinct electronic and steric properties, making it a versatile intermediate in synthetic chemistry. Researchers have explored its utility in the synthesis of novel heterocyclic compounds with potential pharmacological activities.

In the context of biological activity, preliminary investigations suggest that 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole exhibits moderate cytotoxicity against certain cancer cell lines. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of this compound could inhibit the proliferation of human leukemia cells by interfering with DNA replication mechanisms. The study also noted that further optimization of the molecular structure could enhance its selectivity and reduce off-target effects, paving the way for its development as a chemotherapeutic agent.

Another area of interest is the compound's potential role in modulating enzyme activity. Recent in vitro experiments have shown that 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole can act as an inhibitor for specific kinases involved in inflammatory pathways. This finding opens up possibilities for its use in the treatment of chronic inflammatory diseases, such as rheumatoid arthritis and inflammatory bowel disease. However, researchers caution that more extensive in vivo studies are needed to validate these effects and assess the compound's safety profile.

From a synthetic chemistry perspective, advancements in the scalable production of 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole have been reported. A 2024 patent application describes an improved synthetic route that increases yield and purity while reducing the generation of hazardous byproducts. This development is particularly relevant for industrial applications, where efficient and environmentally friendly production methods are highly sought after.

Despite these promising findings, challenges remain in the full characterization and application of 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole. Issues such as stability under physiological conditions, bioavailability, and potential toxicity need to be addressed in future research. Collaborative efforts between chemists, biologists, and pharmacologists will be essential to unlock the full potential of this compound.

In conclusion, 1-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole (CAS: 38460-08-1) represents a compelling subject of study in the chemical biology and pharmaceutical fields. Its unique structural features, combined with its emerging biological activities, make it a promising candidate for further research and development. As new studies continue to elucidate its mechanisms of action and therapeutic potential, this compound may soon find its place in the arsenal of modern medicine.

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