Cas no 423176-38-9 (2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine)

2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine is a pyrazole-derived amine compound with potential applications in pharmaceutical and agrochemical research. Its structure features a 3,5-dimethylpyrazole core linked to an ethylamine moiety, offering versatility as a building block for heterocyclic synthesis. The compound’s amine group enables further functionalization, making it useful in the development of bioactive molecules. Its stability and well-defined reactivity profile enhance its utility in medicinal chemistry, particularly in the design of enzyme inhibitors or receptor modulators. The dimethyl substitution on the pyrazole ring may contribute to steric and electronic effects, influencing binding interactions. This compound is typically handled under controlled conditions due to its reactive amine functionality.
2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine structure
423176-38-9 structure
Product Name:2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine
CAS No:423176-38-9
MF:C7H13N3
MW:139.198220968246
MDL:MFCD03043480
CID:1072124
PubChem ID:650797
Update Time:2025-10-29

2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine Chemical and Physical Properties

Names and Identifiers

    • 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine
    • 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
    • 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine(SALTDATA: FREE)
    • [2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]methylamine
    • 004908
    • 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamine
    • 2-(3,5-dimethylpyrazol-4-yl)ethylamine
    • 4-(2-aminoethyl)-3,5-dimethylpyrazole
    • AC1LCIM5
    • AC1Q2F2B
    • SBB013060
    • SureCN5337870
    • ZERO
    • DTXSID50349512
    • 423176-38-9
    • SCHEMBL5337870
    • Oprea1_127554
    • MFCD03043480
    • STK689333
    • AS-65915
    • 2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethanamine, AldrichCPR
    • HMS1677M11
    • CS-0279903
    • EN300-248800
    • AKOS000530929
    • C80023
    • 3,5-dimethyl-(2-aminoethyl)pyrazole
    • CHEMBL1906938
    • 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
    • BAS 04054018
    • YRA17638
    • MDL: MFCD03043480
    • Inchi: 1S/C7H13N3/c1-5-7(3-4-8)6(2)10-9-5/h3-4,8H2,1-2H3,(H,9,10)
    • InChI Key: MBQAPXFDQYOMRE-UHFFFAOYSA-N
    • SMILES: N1C(C)=C(C(C)=N1)CCN

Computed Properties

  • Exact Mass: 139.11100
  • Monoisotopic Mass: 139.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • 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
  • XLogP3: 0.3
  • Topological Polar Surface Area: 54.7?2

Experimental Properties

  • Density: 1.07
  • Boiling Point: 306.8°C at 760 mmHg
  • Flash Point: 164.9°C
  • Refractive Index: 1.551
  • PSA: 54.70000
  • LogP: 1.22800

2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine 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%

2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine Pricemore >>

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Additional information on 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine

2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine: A Comprehensive Overview

2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine, also known by its CAS number 423176-38-9, is a compound of significant interest in the fields of organic chemistry and pharmacology. This molecule belongs to the class of amines and features a pyrazole ring substituted with methyl groups at positions 3 and 5, along with an ethylamine moiety attached at position 4. The structure of this compound is notable for its potential to engage in various chemical reactions and interactions, making it a valuable substrate for further research and development.

The synthesis of 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine typically involves multi-step processes that leverage the reactivity of pyrazole derivatives. Recent studies have explored the use of transition metal catalysts to enhance the efficiency of these reactions, particularly in the formation of the pyrazole ring. For instance, researchers have employed palladium-catalyzed coupling reactions to construct the ethylamine group with high precision. These advancements not only improve the yield but also contribute to the sustainability of the synthesis process by minimizing waste and reducing energy consumption.

In terms of applications, 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine has shown promise in drug discovery efforts. Its unique structure allows it to act as a scaffold for designing bioactive molecules with potential therapeutic applications. For example, recent research has highlighted its ability to modulate enzyme activity, particularly in pathways associated with inflammation and neurodegenerative diseases. By incorporating this compound into medicinal chemistry pipelines, scientists aim to develop novel treatments that address unmet medical needs.

The chemical properties of 423176-38-9 are also worth examining. The compound exhibits moderate solubility in organic solvents such as dichloromethane and acetonitrile, which facilitates its use in various analytical techniques like high-performance liquid chromatography (HPLC). Additionally, its thermal stability has been tested under different conditions, revealing that it can withstand moderate heating without significant degradation. These properties make it suitable for both laboratory-scale experiments and potential large-scale manufacturing processes.

From an environmental perspective, understanding the fate and transport of 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine in natural systems is crucial. Recent studies have assessed its biodegradability under aerobic and anaerobic conditions, providing insights into its potential impact on ecosystems. These findings are essential for ensuring that any industrial applications involving this compound adhere to environmental regulations and promote sustainable practices.

In conclusion, 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethylamine, or CAS number 423176-38-9, represents a versatile building block in organic synthesis with diverse applications across multiple disciplines. By leveraging cutting-edge research methodologies and adhering to best practices in chemical safety and sustainability, this compound continues to pave the way for innovative solutions in science and industry.

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