Cas no 1002414-59-6 (1-(4-Methylbenzyl)-1H-pyrazol-4-aminehydrochloride)

1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride is a chemically synthesized organic compound featuring a pyrazole core substituted with a 4-methylbenzyl group and an amine functionality, presented as its hydrochloride salt. This structure enhances its stability and solubility, making it suitable for various applications in pharmaceutical and agrochemical research. The compound serves as a versatile intermediate in the synthesis of more complex molecules, particularly in the development of bioactive compounds. Its well-defined purity and consistent quality ensure reliable performance in experimental settings. The hydrochloride form further improves handling and storage characteristics, making it a practical choice for laboratory use.
1-(4-Methylbenzyl)-1H-pyrazol-4-aminehydrochloride structure
1002414-59-6 structure
Product Name:1-(4-Methylbenzyl)-1H-pyrazol-4-aminehydrochloride
CAS No:1002414-59-6
MF:C11H13N3
MW:187.241021871567
MDL:MFCD02253995
CID:1085353
PubChem ID:1229856
Update Time:2025-05-19

1-(4-Methylbenzyl)-1H-pyrazol-4-aminehydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Methylbenzyl)-1H-pyrazol-4-amine
    • 1-(4-Methylbenzyl)-1H-pyrazol-4-aminehydrochloride
    • 1-[(4-methylphenyl)methyl]-1H-Pyrazol-4-amine
    • 1-[(4-methylphenyl)methyl]pyrazol-4-amine
    • 1002414-59-6
    • AKOS000205347
    • Oprea1_690477
    • AS-66697
    • MFCD02253995
    • SCHEMBL3593783
    • BBL039628
    • DA-30098
    • W18842
    • EN300-228348
    • ALBB-003725
    • STK349018
    • MDL: MFCD02253995
    • Inchi: 1S/C11H13N3/c1-9-2-4-10(5-3-9)7-14-8-11(12)6-13-14/h2-6,8H,7,12H2,1H3
    • InChI Key: GNUSWZVMTDHGOP-UHFFFAOYSA-N
    • SMILES: N1(C=C(C=N1)N)CC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 187.110947427g/mol
  • Monoisotopic Mass: 187.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 175
  • 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: 1.5
  • Topological Polar Surface Area: 43.8?2

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1-(4-Methylbenzyl)-1H-pyrazol-4-aminehydrochloride Related Literature

Additional information on 1-(4-Methylbenzyl)-1H-pyrazol-4-aminehydrochloride

1-(4-Methylbenzyl)-1H-pyrazol-4-amine Hydrochloride: A Comprehensive Guide to Its Properties and Applications

1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride (CAS No. 1002414-59-6) is a specialized chemical compound that has garnered significant attention in pharmaceutical and biochemical research. This compound, often referred to by its systematic name, belongs to the pyrazole derivatives family, which are known for their diverse biological activities. The presence of the 4-methylbenzyl group and the amine hydrochloride moiety enhances its solubility and reactivity, making it a valuable intermediate in drug discovery and development.

The molecular structure of 1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride features a pyrazole ring substituted with an amine group at the 4-position and a 4-methylbenzyl group at the 1-position. This unique arrangement contributes to its stability and versatility in synthetic chemistry. Researchers frequently explore its potential as a building block for more complex molecules, particularly in the design of kinase inhibitors and other therapeutic agents. Its CAS number 1002414-59-6 is a critical identifier for procurement and regulatory compliance.

In recent years, the demand for pyrazole-based compounds like 1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride has surged due to their relevance in targeting cancer pathways and inflammatory diseases. This aligns with the growing interest in precision medicine and personalized therapies, which are hot topics in the pharmaceutical industry. The compound's ability to modulate specific enzymes and receptors makes it a promising candidate for further investigation in drug development pipelines.

From a synthetic perspective, 1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride is often synthesized via multi-step organic reactions, including N-alkylation and amine protection-deprotection strategies. Its hydrochloride salt form improves handling and storage stability, which is crucial for industrial-scale production. Researchers and manufacturers prioritize high-purity batches of this compound to ensure reproducibility in experimental results and downstream applications.

The applications of 1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride extend beyond pharmaceuticals. It is also explored in agrochemical research for developing novel pesticides and herbicides. The pyrazole scaffold is known to exhibit insecticidal and fungicidal properties, which are highly sought after in sustainable agriculture. This dual utility in human health and crop protection underscores its importance in modern science.

Market trends indicate a rising interest in custom synthesis and contract research services for compounds like 1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride. Companies specializing in fine chemicals and intermediates are expanding their portfolios to meet the needs of academic and industrial researchers. The compound's CAS 1002414-59-6 is frequently searched in databases, reflecting its relevance in high-throughput screening and medicinal chemistry projects.

Quality control is paramount when working with 1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride. Analytical techniques such as HPLC, NMR, and mass spectrometry are employed to verify its purity and structural integrity. Suppliers often provide detailed certificates of analysis (CoA) to ensure transparency and compliance with regulatory standards. This level of scrutiny is essential for applications in preclinical studies and formulation development.

In summary, 1-(4-Methylbenzyl)-1H-pyrazol-4-amine hydrochloride (CAS No. 1002414-59-6) is a multifaceted compound with broad utility in drug discovery, agricultural chemistry, and material science. Its unique structural features and biological activity profile make it a subject of ongoing research and innovation. As the scientific community continues to explore its potential, this compound is poised to play a pivotal role in advancing therapeutic solutions and sustainable technologies.

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