Cas no 1006333-30-7 (4-Chloro-1-ethyl-1H-pyrazol-3-amine)

4-Chloro-1-ethyl-1H-pyrazol-3-amine is a heterocyclic organic compound featuring a pyrazole core substituted with a chloro group at the 4-position and an ethyl group at the 1-position, along with an amine functional group at the 3-position. This structure makes it a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of biologically active molecules. Its reactivity allows for further functionalization, enabling the creation of derivatives with tailored properties. The compound exhibits stability under standard handling conditions and is compatible with a range of synthetic transformations. Its well-defined molecular architecture ensures reproducibility in research and industrial applications, making it a valuable building block in medicinal and materials chemistry.
4-Chloro-1-ethyl-1H-pyrazol-3-amine structure
1006333-30-7 structure
Product Name:4-Chloro-1-ethyl-1H-pyrazol-3-amine
CAS No:1006333-30-7
MF:C5H8ClN3
MW:145.590119361877
MDL:MFCD04970040
CID:3059483
PubChem ID:19576739
Update Time:2025-08-05

4-Chloro-1-ethyl-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-ethyl-1H-pyrazol-3-amine
    • 4-Chloro-1-ethyl-1,2-dihydro-3h-pyrazol-3-imine
    • AKOS000310701
    • EN300-229774
    • STK349686
    • DB-106688
    • 4-chloro-1-ethylpyrazol-3-amine
    • CS-0298342
    • 1006333-30-7
    • MDL: MFCD04970040
    • Inchi: 1S/C5H8ClN3/c1-2-9-3-4(6)5(7)8-9/h3H,2H2,1H3,(H2,7,8)
    • InChI Key: FXWAERAOYVTBST-UHFFFAOYSA-N
    • SMILES: ClC1C(N)=NN(C=1)CC

Computed Properties

  • Exact Mass: 145.0406750Da
  • Monoisotopic Mass: 145.0406750Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 98.2
  • 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: 0.8
  • Topological Polar Surface Area: 43.8?2

4-Chloro-1-ethyl-1H-pyrazol-3-amine Security Information

4-Chloro-1-ethyl-1H-pyrazol-3-amine Pricemore >>

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Additional information on 4-Chloro-1-ethyl-1H-pyrazol-3-amine

4-Chloro-1-Ethyl-1H-Pyrazol-3-Amine: A Comprehensive Overview

4-Chloro-1-Ethyl-1H-Pyrazol-3-Amine, also known by its CAS number CAS No. 1006333-30-7, is a chemical compound that has garnered significant attention in the fields of organic chemistry and pharmaceutical research. This compound belongs to the class of pyrazole derivatives, which are widely studied for their diverse applications in drug discovery and material science. The structure of 4-Chloro-1-Ethyl-1H-Pyrazol-3-Amine consists of a pyrazole ring with a chlorine substituent at the 4-position and an ethyl group attached to the nitrogen atom at the 1-position. The presence of these substituents imparts unique chemical and physical properties to the molecule, making it a valuable compound for various research and industrial applications.

The synthesis of 4-Chloro-1-Ethyl-1H-Pyrazol-3-Amine involves a series of well-established organic reactions, including nucleophilic substitution, condensation, and amine formation. Researchers have explored various synthetic pathways to optimize the yield and purity of this compound. Recent studies have focused on developing environmentally friendly methods, such as using microwave-assisted synthesis or catalytic systems, to enhance the efficiency of its production. These advancements not only reduce the environmental footprint but also make the compound more accessible for large-scale applications.

In terms of physical properties, 4-Chloro-1-Ethyl-1H-Pyrazol-3-Amine is typically a crystalline solid with a melting point around 200°C. Its solubility in common organic solvents like dichloromethane and ethanol is moderate, which facilitates its use in various chemical reactions. The compound exhibits a strong UV absorption spectrum, making it suitable for applications in photovoltaic materials or as a photosensitizer in organic electronics. Additionally, its ability to form stable complexes with metal ions has been explored in coordination chemistry, opening new avenues for its use in catalysis and material science.

The chemical reactivity of 4-Chloro-1-Ethyl-1H-Pyrazol-3-Amine is primarily influenced by the electron-withdrawing chlorine substituent and the electron-donating ethyl group. These substituents create a balance of electron density within the pyrazole ring, enabling participation in both electrophilic and nucleophilic reactions. Recent research has highlighted its potential as an intermediate in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and anti-inflammatory agents. For instance, studies have demonstrated that derivatives of this compound can modulate key signaling pathways involved in cancer progression, making them promising candidates for anticancer drug development.

In addition to its role in pharmaceutical research, 4-Chloro-1-Ethyl-1H-Pyrazol-3-Amine has found applications in agrochemicals and industrial catalysts. Its ability to act as a ligand in transition metal complexes has been exploited to design efficient catalysts for olefin polymerization and hydrogenation reactions. Furthermore, its use as an additive in polymer formulations has been investigated to improve thermal stability and mechanical properties.

The latest advancements in computational chemistry have enabled researchers to predict the electronic structure and reactivity of CAS No. 1006333-30.... Through density functional theory (DFT) calculations, scientists have gained insights into the molecular orbitals and reaction mechanisms involving this compound. These computational studies have provided valuable guidance for designing new derivatives with enhanced biological activity or improved chemical stability.

In conclusion, 4-Chloro..., with its unique structural features and versatile reactivity, continues to be a focal point for scientific exploration across multiple disciplines. As research progresses, this compound is expected to unlock new possibilities in drug discovery, materials science, and industrial chemistry.

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