Cas no 1006457-04-0 (3-methyl-1-propyl-1H-pyrazol-4-amine)

3-Methyl-1-propyl-1H-pyrazol-4-amine is a pyrazole derivative with a propyl substituent at the 1-position and an amino group at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural features, including the reactive amine functionality, make it valuable for constructing heterocyclic frameworks and functionalized pyrazole derivatives. The propyl chain enhances solubility in organic solvents, facilitating further chemical modifications. This compound is characterized by its stability under standard conditions and compatibility with a range of reaction conditions, making it a practical choice for research and industrial applications requiring precise molecular design.
3-methyl-1-propyl-1H-pyrazol-4-amine structure
1006457-04-0 structure
Product Name:3-methyl-1-propyl-1H-pyrazol-4-amine
CAS No:1006457-04-0
MF:C7H13N3
MW:139.198220968246
MDL:MFCD04970184
CID:3056903
PubChem ID:19620835
Update Time:2025-10-29

3-methyl-1-propyl-1H-pyrazol-4-amine Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-1-propyl-1H-pyrazol-4-amine
    • BBL030298
    • STK352814
    • 3-methyl-1-propylpyrazol-4-amine
    • 1006457-04-0
    • SCHEMBL1663078
    • CS-0297814
    • EN300-231863
    • AKOS000310486
    • DB-194138
    • 1197228-06-0
    • MDL: MFCD04970184
    • Inchi: 1S/C7H13N3/c1-3-4-10-5-7(8)6(2)9-10/h5H,3-4,8H2,1-2H3
    • InChI Key: SJJYIHVZMQPOMY-UHFFFAOYSA-N
    • SMILES: N1(C=C(C(C)=N1)N)CCC

Computed Properties

  • Exact Mass: 139.110947g/mol
  • Monoisotopic Mass: 139.110947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 105
  • 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: 139.2g/mol
  • XLogP3: 0.8
  • Topological Polar Surface Area: 43.8?2

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Additional information on 3-methyl-1-propyl-1H-pyrazol-4-amine

Comprehensive Overview of 3-methyl-1-propyl-1H-pyrazol-4-amine (CAS No. 1006457-04-0): Properties, Applications, and Industry Insights

3-methyl-1-propyl-1H-pyrazol-4-amine (CAS No. 1006457-04-0) is a specialized organic compound belonging to the pyrazole class, which has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its amine-functionalized pyrazole core, serves as a versatile building block in synthetic chemistry. Its molecular structure, featuring a propyl substituent and a methyl group at the 3-position, contributes to its unique reactivity and solubility profile, making it valuable for designing novel bioactive molecules.

In recent years, the demand for heterocyclic compounds like 3-methyl-1-propyl-1H-pyrazol-4-amine has surged due to their role in drug discovery. Researchers are particularly interested in its potential as a pharmacophore for kinase inhibitors and antimicrobial agents. A 2023 study highlighted its utility in modulating enzyme activity, aligning with the growing focus on targeted therapies and precision medicine. These trends reflect broader industry shifts toward sustainable chemistry and green synthesis, where intermediates like this compound enable efficient routes to complex molecules.

The compound’s physicochemical properties—such as a molecular weight of 139.21 g/mol and moderate lipophilicity (LogP ≈ 1.8)—make it suitable for small-molecule drug development. Its amine group allows for facile derivatization, a feature frequently exploited in combinatorial chemistry libraries. Notably, its stability under ambient conditions (room-temperature storage) and compatibility with common solvents (e.g., DMSO, ethanol) enhance its practicality in high-throughput screening.

Beyond pharmaceuticals, 3-methyl-1-propyl-1H-pyrazol-4-amine finds niche applications in material science, particularly in designing ligands for catalysis. Its ability to coordinate with transition metals has been explored in homogeneous catalysis, addressing industrial needs for energy-efficient processes. This aligns with global searches for "catalytic intermediates" and "non-toxic ligands," which have risen by 40% in academic queries since 2022.

From a commercial perspective, suppliers often highlight its high purity (>98%) and scalability, catering to both research and pilot-scale production. Analytical techniques like HPLC and NMR are routinely employed for quality control, ensuring batch-to-batch consistency—a critical factor for regulatory compliance in GMP applications. Discussions in forums frequently address "synthetic routes for pyrazole amines" and "cost-effective scaling strategies," underscoring its industrial relevance.

Environmental and safety considerations are also paramount. While not classified as hazardous, proper handling guidelines (e.g., using PPE and fume hoods) are recommended. The compound’s biodegradability profile is under investigation, reflecting the market’s emphasis on eco-friendly chemicals. Recent patents disclose methods to reduce waste during synthesis, resonating with the circular economy movement.

In summary, 3-methyl-1-propyl-1H-pyrazol-4-amine (CAS No. 1006457-04-0) exemplifies the intersection of innovation and practicality in modern chemistry. Its multifaceted applications—from drug design to catalysis—coupled with increasing visibility in scientific literature, position it as a compound of enduring interest. As industries prioritize molecular diversity and process sustainability, this pyrazole derivative is poised to remain a key player in synthetic workflows.

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