Cas no 1002032-40-7 ((4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine)

(4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine is a versatile pyrazole derivative featuring a reactive methylamine group at the 5-position and a chloro substituent at the 4-position. This compound serves as a valuable intermediate in pharmaceutical and agrochemical synthesis due to its functional group compatibility and structural modularity. The chloro group enhances electrophilic reactivity, facilitating further derivatization, while the ethyl substitution on the pyrazole nitrogen improves stability. Its amine functionality allows for straightforward conjugation or further functionalization, making it useful in the development of biologically active molecules. The compound is typically handled under controlled conditions due to its reactivity. High-purity grades are available for research and industrial applications.
(4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine structure
1002032-40-7 structure
Product Name:(4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine
CAS No:1002032-40-7
MF:C6H10ClN3
MW:159.616699695587
MDL:MFCD04967131
CID:2952005
PubChem ID:7017045
Update Time:2025-11-01

(4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine Chemical and Physical Properties

Names and Identifiers

    • [(4-氯-1-乙基-1H-吡唑-5-基)甲基]胺鹽酸鹽
    • AKOS B007409
    • ART-CHEM-BB B007409
    • (4-chloro-2-ethylpyrazol-3-yl)methanamine
    • 1-(4-CHLORO-1-ETHYL-1H-PYRAZOL-5-YL)METHANAMINE
    • C-(4-CHLORO-2-ETHYL-2 H-PYRAZOL-3-YL)-METHYLAMINE
    • [(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]amine hydrochloride
    • (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methanamine
    • 1H-Pyrazole-5-methanamine, 4-chloro-1-ethyl-
    • STK313338
    • [(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]amine
    • C-(4-Chloro-2-ethyl-2H-pyrazol-3-yl)-methylamine
    • 1-(4-chloro-1-ethyl-1H-pyrazol-5-yl)methanamine hydrochloride
    • ALBB-012539
    • DB-412486
    • EN300-228472
    • 4-Chloro-1-ethyl-1H-pyrazole-5-methanamine
    • 1002032-40-7
    • FS-1948
    • AKOS000308122
    • (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine
    • MDL: MFCD04967131
    • Inchi: 1S/C6H10ClN3/c1-2-10-6(3-8)5(7)4-9-10/h4H,2-3,8H2,1H3
    • InChI Key: PYKPDCKFNARURA-UHFFFAOYSA-N
    • SMILES: ClC1C=NN(CC)C=1CN

Computed Properties

  • Exact Mass: 159.0563250Da
  • Monoisotopic Mass: 159.0563250Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 109
  • 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: 0.1
  • Topological Polar Surface Area: 43.8

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 268.4±25.0 °C at 760 mmHg
  • Flash Point: 116.1±23.2 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

(4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine Security Information

(4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine Pricemore >>

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Additional information on (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine

Introduction to (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine and Its Significance in Modern Chemical Research

(4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine, a compound with the CAS number 1002032-40-7, represents a fascinating molecule in the realm of chemical biology and pharmaceutical development. This compound, characterized by its intricate structure and versatile reactivity, has garnered significant attention due to its potential applications in drug discovery and medicinal chemistry. The presence of both chloro and methylamine functional groups on a pyrazole backbone makes it a valuable scaffold for synthesizing novel bioactive molecules.

The pyrazole core is a well-known heterocyclic system that has been extensively studied for its pharmacological properties. Pyrazoles exhibit a wide range of biological activities, including anti-inflammatory, antimicrobial, and anticancer effects. The introduction of substituents such as chloro and ethyl groups at specific positions on the pyrazole ring can modulate its biological profile, making it an attractive candidate for further exploration.

In recent years, there has been a surge in research focused on developing small molecule inhibitors targeting various disease pathways. (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine has emerged as a promising candidate in this context. Its structural features suggest potential interactions with biological targets involved in cancer progression, neurodegenerative diseases, and infectious disorders. The chloro group, in particular, can serve as a handle for further derivatization, allowing chemists to fine-tune the compound's properties.

One of the most compelling aspects of this compound is its role in the development of kinase inhibitors. Kinases are enzymes that play crucial roles in cell signaling pathways and are often dysregulated in various diseases, particularly cancer. By designing molecules that specifically inhibit kinase activity, researchers aim to develop therapeutic agents that can restore normal cellular function. (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine has shown promise in preliminary studies as a scaffold for kinase inhibitors due to its ability to interact with the ATP-binding site of these enzymes.

Furthermore, the compound's versatility extends to its potential use in fragment-based drug discovery. Fragment-based approaches involve identifying small molecule fragments that bind to biological targets and then optimizing these fragments into lead compounds. (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine can serve as a valuable fragment in this process, providing a starting point for designing more complex and potent inhibitors.

Recent advancements in computational chemistry have also highlighted the importance of virtual screening in identifying promising drug candidates. Molecular docking studies have been performed using (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine to predict its binding interactions with various biological targets. These studies have provided insights into the compound's binding mode and have helped guide the design of more effective derivatives.

The synthesis of (4-Chloro-1-ethyl-1H-pyrazol-5-yl)methylamine involves multi-step organic reactions that showcase the ingenuity of modern synthetic chemistry. The process typically begins with the preparation of the pyrazole core, followed by functionalization with chloro and ethyl groups. The introduction of the methylamine moiety requires careful control of reaction conditions to ensure high yield and purity. These synthetic strategies highlight the compound's significance not only as a potential drug candidate but also as a model system for studying reaction mechanisms and developing new synthetic methodologies.

In conclusion, (4-Chloro-1-ethyl-1H-pyrazol-5-ytl)methylamine (CAS no 1002032) is a multifaceted compound with significant potential in pharmaceutical research. Its structural features make it an attractive scaffold for developing novel bioactive molecules, particularly kinase inhibitors. The ongoing research into this compound underscores its importance in addressing various diseases and highlights the continued need for innovative approaches in drug discovery.

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