Cas no 859850-81-0 (N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine)

N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine is a heterocyclic compound featuring a pyrazole core substituted with a thiophene moiety and an N-methylaminomethyl group. This structure imparts unique electronic and steric properties, making it a valuable intermediate in medicinal chemistry and material science. Its fused aromatic systems enhance stability and reactivity, facilitating applications in ligand design and catalytic processes. The presence of both nitrogen and sulfur heteroatoms allows for versatile coordination behavior, useful in metal-organic frameworks (MOFs) or as a pharmacophore in drug discovery. The compound’s well-defined molecular architecture ensures reproducibility in synthesis, supporting its use in high-precision research applications.
N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine structure
859850-81-0 structure
Product Name:N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine
CAS No:859850-81-0
MF:C9H11N3S
MW:193.268739938736
CID:1088061
PubChem ID:44236861
Update Time:2025-05-20

N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine
    • N-methyl-1-[3-(2-thienyl)-1H-pyrazol-5-yl]methanamine
    • N-methyl-1-[3-(2-thienyl)-1H-pyrazol-5-yl]methanamine(SALTDATA: FREE)
    • N-METHYL-1-[5-(2-THIENYL)-1H-PYRAZOL-3-YL]-METHANAMINE
    • N-Methyl-1-(5-(thiophen-2-yl)-1H-pyrazol-3-yl)methanamine
    • 859850-81-0
    • AKOS005351071
    • N-methyl-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
    • AKOS005111151
    • STL355978
    • N-methyl-1-[5-(thiophen-2-yl)-1H-pyrazol-3-yl]methanamine
    • MDL: MFCD13248813
    • Inchi: 1S/C9H11N3S/c1-10-6-7-5-8(12-11-7)9-3-2-4-13-9/h2-5,10H,6H2,1H3,(H,11,12)
    • InChI Key: MPFYRESLIJSFPG-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C1C=C(CNC)NN=1

Computed Properties

  • Exact Mass: 193.067
  • Monoisotopic Mass: 193.067
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 165
  • 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
  • Topological Polar Surface Area: 69A^2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 371.6±32.0 °C at 760 mmHg
  • Flash Point: 178.5±25.1 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine Security Information

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Additional information on N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine

Professional Introduction to N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine (CAS No. 859850-81-0)

N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine, with the CAS number 859850-81-0, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This compound has garnered considerable attention due to its structural complexity and potential applications in drug discovery and medicinal chemistry. The presence of both thiophene and pyrazole moieties in its molecular framework endows it with unique chemical properties that make it a valuable candidate for further exploration.

The N-Methyl group in the compound's name is particularly noteworthy, as it influences the compound's basicity and reactivity. This feature is crucial in medicinal chemistry, where the modulation of such properties can significantly impact the pharmacological activity of a drug. The pyrazole ring, a heterocyclic aromatic compound, is known for its versatility in drug design, often serving as a scaffold for bioactive molecules. Its integration with the thiophene ring in N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine creates a complex system that may exhibit novel interactions with biological targets.

In recent years, there has been a growing interest in the development of heterocyclic compounds for therapeutic applications. The combination of thiophene and pyrazole in this molecule aligns well with this trend. Research has shown that such compounds can exhibit a wide range of biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. The structural features of N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine make it a promising candidate for further investigation in these areas.

The synthesis of N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine involves multiple steps, each requiring careful optimization to ensure high yield and purity. The introduction of the thiophene ring is a critical step, as it sets the foundation for the compound's unique chemical properties. Subsequent functionalization, including the addition of the pyrazole moiety and the N-methylation process, further refines the molecule's structure. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have been employed to achieve these transformations efficiently.

The pharmacological potential of N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine has been explored through various in vitro studies. These studies have revealed that the compound interacts with several biological targets, including enzymes and receptors involved in disease pathways. For instance, preliminary data suggest that it may inhibit certain kinases, which are key players in cancer signaling pathways. Additionally, its interaction with other therapeutic targets has been investigated, providing insights into its potential therapeutic applications.

The development of new drugs often involves rigorous testing to assess their safety and efficacy. N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine is no exception. Preclinical studies are being conducted to evaluate its pharmacokinetic properties, toxicity profile, and potential side effects. These studies are essential for determining whether the compound is suitable for further development into a clinical candidate. The results from these studies will provide valuable information for designing future clinical trials and optimizing therapeutic strategies.

The role of computational chemistry in drug discovery cannot be overstated. Molecular modeling techniques have been used to predict the binding affinity of N-Methyl-1-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanamine to various biological targets. These predictions help guide experimental efforts by identifying key interactions and optimizing molecular structure. Additionally, virtual screening methods have been employed to identify potential lead compounds based on their structural features and predicted biological activity. Such computational approaches are integral to modern drug discovery pipelines.

The future prospects for N-Methyl-1-(3-(thiophen-2-yli)-1H-pyrazol -5 - yl)methanamine are promising. Ongoing research aims to further elucidate its mechanism of action and explore new therapeutic applications. Collaborative efforts between academic institutions and pharmaceutical companies are likely to drive innovation in this area. As our understanding of biological systems continues to grow, compounds like N-Methyl - 1 - (3 - (thiophen - 2 - yl) - 1 H - pyrazol - 5 - yl) methanamine will play an increasingly important role in addressing unmet medical needs.

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