Cas no 1053163-67-9 (3-cyclopropyl-1-methyl-1H-pyrazole)

3-Cyclopropyl-1-methyl-1H-pyrazole is a heterocyclic compound featuring a pyrazole core substituted with a cyclopropyl group at the 3-position and a methyl group at the 1-position. This structure imparts unique steric and electronic properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its compact cyclopropyl moiety enhances metabolic stability and influences binding affinity in bioactive molecules. The compound's well-defined reactivity profile allows for selective functionalization, facilitating its use in the development of novel active ingredients. High purity and consistent quality ensure reliable performance in research and industrial applications, particularly in the design of targeted small-molecule therapeutics.
3-cyclopropyl-1-methyl-1H-pyrazole structure
1053163-67-9 structure
Product Name:3-cyclopropyl-1-methyl-1H-pyrazole
CAS No:1053163-67-9
MF:C7H10N2
MW:122.167701244354
MDL:MFCD09701736
CID:1151911
PubChem ID:23300060
Update Time:2025-10-28

3-cyclopropyl-1-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 3-cyclopropyl-1-methylpyrazole
    • STK352113
    • SBB025172
    • AG-C-78462
    • SureCN2727415
    • 3-cyclopropyl-1-methyl-1H-pyrazole
    • CTK6I2447
    • 3-cyclopropyl-1-methyl-pyrazole
    • 1053163-67-9
    • F53839
    • DTXSID30632712
    • DB-059326
    • EN300-197495
    • AKOS005167931
    • SCHEMBL2727415
    • MFCD09701736
    • MDL: MFCD09701736
    • Inchi: 1S/C7H10N2/c1-9-5-4-7(8-9)6-2-3-6/h4-6H,2-3H2,1H3
    • InChI Key: SLCCNZAJZZHXSD-UHFFFAOYSA-N
    • SMILES: N1=C(C=CN1C)C1CC1

Computed Properties

  • Exact Mass: 122.084398327g/mol
  • Monoisotopic Mass: 122.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 110
  • 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: 0.8
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • Density: 1.19±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 212.9±9.0 oC (760 Torr),
  • Flash Point: 82.5±18.7 oC,
  • Solubility: Slightly soluble (2.1 g/l) (25 o C),

3-cyclopropyl-1-methyl-1H-pyrazole Pricemore >>

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Additional information on 3-cyclopropyl-1-methyl-1H-pyrazole

3-Cyclopropyl-1-methyl-1H-pyrazole (CAS No. 1053163-67-9): A Versatile Heterocyclic Compound in Modern Chemistry

The 3-cyclopropyl-1-methyl-1H-pyrazole (CAS No. 1053163-67-9) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. Its unique structural features, including the cyclopropyl and pyrazole moieties, make it a valuable scaffold for designing bioactive molecules. Researchers and industries are increasingly exploring its potential in drug discovery, crop protection, and material science, aligning with current trends in sustainable chemistry and precision medicine.

One of the key reasons for the growing interest in 3-cyclopropyl-1-methyl-1H-pyrazole is its role as a building block in medicinal chemistry. The pyrazole ring is a common pharmacophore found in many FDA-approved drugs, such as anti-inflammatory and anticancer agents. The addition of a cyclopropyl group enhances the compound's metabolic stability and bioavailability, addressing common challenges in drug development. Recent studies highlight its potential in targeting kinase inhibitors and GPCRs, which are hot topics in oncology and neurology research.

In agrochemical applications, 3-cyclopropyl-1-methyl-1H-pyrazole has shown promise as an intermediate for novel pesticides and herbicides. With the global push toward reducing environmental toxicity, this compound's selectivity and low residue profile align with the demand for greener alternatives. Searches for eco-friendly agrochemical intermediates or sustainable crop protection chemicals often lead to derivatives of this compound, reflecting its relevance in modern agriculture.

The synthesis of 3-cyclopropyl-1-methyl-1H-pyrazole typically involves cyclization reactions and functional group modifications, which are well-documented in peer-reviewed journals. Optimizing its yield and purity is a frequent topic in organic chemistry forums, with queries like how to synthesize 3-cyclopropyl-1-methyl-1H-pyrazole or CAS 1053163-67-9 synthesis routes trending among chemists. Advanced techniques such as microwave-assisted synthesis and flow chemistry are also being explored to improve efficiency.

From a commercial perspective, the demand for 3-cyclopropyl-1-methyl-1H-pyrazole is driven by its scalability and compatibility with industrial processes. Suppliers and manufacturers often highlight its high purity grades and custom synthesis options, catering to diverse R&D needs. Regulatory compliance, such as REACH and FDA guidelines, further ensures its safe handling and application across sectors.

Looking ahead, the compound's adaptability in click chemistry and bioconjugation opens doors for innovations in diagnostics and biotherapeutics. As AI-driven drug discovery gains traction, 3-cyclopropyl-1-methyl-1H-pyrazole is likely to feature prominently in virtual screening libraries, answering search queries like best heterocycles for drug design or emerging pyrazole derivatives.

In summary, 3-cyclopropyl-1-methyl-1H-pyrazole (CAS No. 1053163-67-9) exemplifies the intersection of chemistry and cutting-edge applications. Its multifaceted utility, combined with ongoing research, positions it as a compound of enduring significance in science and industry.

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