Cas no 69980-77-4 (3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine)

3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)-1-propanamine is a pyrazole-derived amine compound characterized by its trimethyl-substituted heterocyclic structure. This intermediate exhibits potential utility in pharmaceutical and agrochemical synthesis due to its reactive primary amine group and sterically hindered pyrazole moiety, which may enhance selectivity in coupling reactions. The compound's stability under standard conditions and compatibility with further functionalization make it a versatile building block for the development of biologically active molecules. Its structural features, including the electron-rich pyrazole ring, could contribute to improved binding affinity in target-specific applications. The product is typically supplied in high purity, ensuring reproducibility in research and industrial processes.
3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine structure
69980-77-4 structure
Product Name:3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine
CAS No:69980-77-4
MF:C9H17N3
MW:167.251381635666
MDL:MFCD12827514
CID:1078074
PubChem ID:13567230
Update Time:2025-11-02

3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine Chemical and Physical Properties

Names and Identifiers

    • 3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propan-1-amine
    • [3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)propyl]amine
    • 3-(trimethylpyrazol-1-yl)propan-1-amine
    • AGN-PC-00N3O6
    • Ambcb4035487
    • BBL015935
    • MolPort-008-154-184
    • STL170055
    • 3-(3,4,5-TRIMETHYLPYRAZOL-1-YL)PROPAN-1-AMINE
    • DTXSID90543991
    • FT-0683594
    • 3-(3,4,5-TRIMETHYL-1H-PYRAZOL-1-YL)-1-PROPANAMINE
    • 69980-77-4
    • VS-05076
    • AKOS005173644
    • ALBB-012436
    • 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine
    • MDL: MFCD12827514
    • Inchi: 1S/C9H17N3/c1-7-8(2)11-12(9(7)3)6-4-5-10/h4-6,10H2,1-3H3
    • InChI Key: YRUTVJNXEQREHB-UHFFFAOYSA-N
    • SMILES: N1(C(C)=C(C)C(C)=N1)CCCN

Computed Properties

  • Exact Mass: 167.142247555g/mol
  • Monoisotopic Mass: 167.142247555g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 138
  • 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: 0.7
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: 299-300℃
  • Boiling Point: 282.3±28.0 °C at 760 mmHg
  • Flash Point: 124.5±24.0 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine Security Information

3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine Pricemore >>

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Additional information on 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine

Comprehensive Guide to 3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)-1-propanamine (CAS No. 69980-77-4)

3-(3,4,5-Trimethyl-1H-pyrazol-1-yl)-1-propanamine (CAS No. 69980-77-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, featuring a trimethylpyrazole core linked to a propanamine moiety, exhibits unique chemical properties that make it valuable for various applications. Researchers and industry professionals are increasingly interested in its potential due to its structural versatility and reactivity.

The molecular structure of 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine includes a pyrazole ring substituted with three methyl groups, enhancing its stability and lipophilicity. This characteristic is particularly beneficial in drug design, where improved bioavailability and metabolic stability are critical. The propanamine side chain further contributes to its functionality, enabling interactions with biological targets such as enzymes and receptors. Its CAS number, 69980-77-4, is frequently searched in chemical databases, highlighting its relevance in modern research.

One of the most discussed applications of 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine is in the development of novel pharmaceutical intermediates. The compound's ability to act as a building block for more complex molecules has made it a subject of interest in medicinal chemistry. Recent studies explore its role in synthesizing potential therapeutics for neurological disorders and inflammatory conditions, aligning with the growing demand for innovative treatments in these areas.

In addition to pharmaceuticals, 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine is being investigated for its utility in agrochemical formulations. The compound's structural features suggest potential as a precursor for crop protection agents, addressing the need for sustainable and efficient pest management solutions. This application is particularly relevant given the increasing focus on environmentally friendly agricultural practices.

The synthesis of 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine typically involves multi-step organic reactions, including condensation and amination processes. Researchers often optimize these methods to improve yield and purity, ensuring the compound meets the stringent requirements of industrial and academic use. Analytical techniques such as NMR spectroscopy and mass spectrometry are commonly employed to characterize the compound and verify its structural integrity.

Market trends indicate a rising demand for specialty chemicals like 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine, driven by advancements in drug discovery and agrochemical innovation. Companies specializing in fine chemicals are expanding their portfolios to include such compounds, catering to the needs of research institutions and manufacturing sectors. This trend underscores the compound's commercial significance and future growth potential.

Safety and handling of 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine are critical considerations for laboratory and industrial settings. Proper storage conditions, including temperature control and protection from moisture, are essential to maintain its stability. Material safety data sheets (MSDS) provide detailed guidelines for safe usage, emphasizing the importance of adherence to regulatory standards.

In summary, 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1-propanamine (CAS No. 69980-77-4) is a versatile compound with promising applications in pharmaceuticals and agrochemicals. Its unique structural attributes and reactivity profile make it a valuable asset in research and development. As scientific exploration continues, this compound is likely to play an increasingly important role in addressing contemporary challenges in health and agriculture.

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