Cas no 1189853-92-6 ((4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine)

(4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine structure
1189853-92-6 structure
Product Name:(4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine
CAS No:1189853-92-6
MF:C6H11Cl2N3
MW:196.077638864517
CID:3159426
PubChem ID:44890756
Update Time:2025-11-01

(4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine Chemical and Physical Properties

Names and Identifiers

    • C-(4-Chloro-1-ethyl-1H-pyrazol-3-yl)-methylamine hydrochloride
    • AKOS024395213
    • 1189853-92-6
    • 1-(4-CHLORO-1-ETHYLPYRAZOL-3-YL)METHANAMINE HYDROCHLORIDE
    • (4-chloro-1-ethylpyrazol-3-yl)methanamine;hydrochloride
    • (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methanaminehydrochloride
    • (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methanamine hydrochloride
    • (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine
    • MDL: MFCD09759065
    • Inchi: 1S/C6H10ClN3.ClH/c1-2-10-4-5(7)6(3-8)9-10;/h4H,2-3,8H2,1H3;1H
    • InChI Key: GYRZSVDAWPYHFX-UHFFFAOYSA-N
    • SMILES: ClC1=CN(CC)N=C1CN.Cl

Computed Properties

  • Exact Mass: 195.0330028Da
  • Monoisotopic Mass: 195.0330028Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 109
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.8?2

(4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine Pricemore >>

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Additional information on (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine

Comprehensive Overview of (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine (CAS No. 1189853-92-6)

(4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine, with the CAS number 1189853-92-6, is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry and agrochemical research. This compound belongs to the pyrazole derivative family, known for its versatile applications in drug discovery and material science. The presence of both chloro and ethyl functional groups in its structure makes it a valuable intermediate for synthesizing more complex molecules. Researchers are particularly interested in its potential as a building block for pharmaceutical active ingredients and crop protection agents.

In recent years, the demand for pyrazole-based compounds like (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine has surged due to their role in developing targeted therapies and sustainable agrochemicals. The compound's unique structural features allow for modifications that can enhance bioactivity and selectivity. For instance, its methylamine group offers a reactive site for further functionalization, making it a preferred choice for combinatorial chemistry. This aligns with the growing trend in green chemistry, where researchers seek eco-friendly synthesis routes for such intermediates.

The compound's CAS No. 1189853-92-6 is frequently searched in academic and industrial databases, reflecting its relevance in high-throughput screening and molecular docking studies. Its potential applications in neurological disorders and metabolic diseases are under investigation, as pyrazole derivatives have shown promise in modulating key biological pathways. Additionally, the agrochemical industry explores its utility in developing next-generation pesticides with lower environmental impact.

From a synthetic perspective, (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine is often synthesized via multistep organic reactions, including nucleophilic substitution and reductive amination. Its purity and stability are critical for downstream applications, prompting advancements in analytical techniques like HPLC and LC-MS for quality control. The compound's solubility profile and thermal stability are also key parameters for formulation scientists.

As the scientific community continues to explore structure-activity relationships (SAR), (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine serves as a model for optimizing lead compounds. Its compatibility with click chemistry and bioconjugation techniques further expands its utility in drug delivery systems. With the rise of AI-driven drug discovery, this compound's data-rich profile makes it a valuable asset for machine learning models predicting molecular interactions.

In conclusion, (4-Chloro-1-ethyl-1H-pyrazol-3-yl)methylamine (CAS No. 1189853-92-6) exemplifies the intersection of innovation and practicality in modern chemistry. Its multifaceted applications and adaptability to emerging technologies position it as a compound of enduring significance in both academic and industrial settings.

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