Cas no 956373-24-3 (4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine)

4-Chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine is a pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a chloro-substituted pyrazole core linked to a 4-methylbenzyl group, offering versatility in synthetic modifications. The compound's amine functionality enhances its reactivity, making it a valuable intermediate for the development of biologically active molecules. Its stability under standard conditions and well-defined chemical properties facilitate precise experimental use. Researchers may explore its utility in designing enzyme inhibitors or ligand scaffolds due to its balanced lipophilicity and electronic effects. Proper handling and storage are recommended to maintain purity and performance in laboratory settings.
4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine structure
956373-24-3 structure
Product Name:4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine
CAS No:956373-24-3
MF:C11H12ClN3
MW:221.686080932617
MDL:MFCD02254023
CID:3057015
PubChem ID:7022265
Update Time:2025-11-05

4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-(4-methyl-benzyl)-1 H -pyrazol-3-ylamine
    • 4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine
    • STK298755
    • AKOS000304462
    • 4-chloro-1-[(4-methylphenyl)methyl]-1h-pyrazol-3-amine
    • 4-chloro-1-(4-methylbenzyl)-1H-pyrazol-3-amine
    • 4-Chloro-1-(4-methyl-benzyl)-1H-pyrazol-3-ylamine
    • 956373-24-3
    • BBL010189
    • VS-02370
    • 4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-amine
    • EN300-227891
    • GNB37324
    • MDL: MFCD02254023
    • Inchi: 1S/C11H12ClN3/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14-15/h2-5,7H,6H2,1H3,(H2,13,14)
    • InChI Key: OHWILXXDWMPFKE-UHFFFAOYSA-N
    • SMILES: ClC1C(N)=NN(C=1)CC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 221.0719751Da
  • Monoisotopic Mass: 221.0719751Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 204
  • 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: 2.5
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 394.0±37.0 °C at 760 mmHg
  • Flash Point: 192.1±26.5 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine Security Information

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Additional information on 4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine

Comprehensive Overview of 4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine (CAS No. 956373-24-3)

4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine, with the CAS number 956373-24-3, is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the pyrazole class, known for its versatile applications in drug discovery and material science. The presence of a chloro substituent and a 4-methylphenyl group enhances its reactivity, making it a valuable intermediate in synthetic chemistry. Researchers are increasingly exploring its potential in developing novel therapeutic agents, particularly in targeting enzymes and receptors involved in inflammatory and metabolic disorders.

In recent years, the demand for pyrazole derivatives like 4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine has surged due to their role in designing selective kinase inhibitors. These inhibitors are pivotal in treating conditions such as cancer and autoimmune diseases. The compound's unique structure allows for precise modifications, enabling scientists to optimize its pharmacokinetic properties. Additionally, its amine functionality provides a handle for further derivatization, expanding its utility in combinatorial chemistry and high-throughput screening.

From an industrial perspective, CAS 956373-24-3 is often discussed in the context of green chemistry and sustainable synthesis. With growing environmental concerns, researchers are focusing on eco-friendly methods to produce such intermediates. Catalytic processes and solvent-free reactions are being explored to minimize waste and energy consumption. This aligns with the broader trend of sustainable pharmaceutical manufacturing, a topic frequently searched by professionals in the field.

The compound's nomenclature, 4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine, may seem complex, but it systematically describes its molecular framework. The pyrazole ring is substituted at the 1-position with a (4-methylphenyl)methyl group and at the 3-position with an amine. The 4-chloro substituent further defines its electronic properties. Such detailed naming conventions are crucial for accurate database searches and patent filings, highlighting the importance of chemical nomenclature in research and development.

Analytical techniques like HPLC, NMR, and mass spectrometry are routinely employed to characterize 956373-24-3. These methods ensure purity and confirm structural integrity, which are critical for its application in sensitive biological assays. The compound's stability under various conditions is also a subject of study, particularly for formulation scientists aiming to develop long-acting drug delivery systems. This aspect resonates with the increasing interest in drug stability and formulation optimization among pharmaceutical researchers.

In the realm of computational chemistry, 4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine serves as a model for molecular docking studies. Its moderate size and functional group diversity make it an ideal candidate for simulating interactions with biological targets. Such in silico approaches are gaining traction as they reduce the need for extensive lab work, aligning with the industry's push toward cost-effective drug discovery. This trend is frequently queried in academic and industrial forums, reflecting its relevance.

The synthesis of CAS 956373-24-3 typically involves multi-step reactions, including cyclization and substitution processes. Recent advancements in flow chemistry have streamlined its production, offering better control over reaction parameters and scalability. These innovations are part of the larger movement toward continuous manufacturing, a hot topic in chemical engineering circles. By leveraging such technologies, manufacturers can meet the growing demand for high-purity intermediates like 4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine.

Safety and handling of 956373-24-3 are governed by standard laboratory protocols. While not classified as hazardous, proper personal protective equipment (PPE) is recommended during its handling. This aligns with the broader emphasis on laboratory safety, a recurring theme in professional training programs. The compound's material safety data sheet (MSDS) provides detailed guidelines, ensuring compliance with occupational health standards.

In summary, 4-chloro-1-(4-methylphenyl)methyl-1H-pyrazol-3-amine (CAS 956373-24-3) is a multifaceted compound with broad applications in medicinal chemistry and industrial synthesis. Its structural features and reactivity profile make it a cornerstone in the development of next-generation therapeutics and sustainable chemical processes. As research progresses, its role in addressing global health and environmental challenges will likely expand, solidifying its position in the scientific community.

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