Cas no 28466-28-6 (N-methyl-1H-pyrazol-4-amine)

N-methyl-1H-pyrazol-4-amine structure
N-methyl-1H-pyrazol-4-amine structure
Product Name:N-methyl-1H-pyrazol-4-amine
CAS No:28466-28-6
MF:C4H7N3
MW:97.1184799671173
MDL:MFCD01693420
CID:278967
PubChem ID:206693
Update Time:2025-11-02

N-methyl-1H-pyrazol-4-amine Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazol-4-amine,N-methyl-
    • N-methyl-1H-pyrazol-4-amine
    • 4-(Methylamino)pyrazole
    • EN300-147837
    • DTXSID50182683
    • AKOS012389784
    • 28466-28-6
    • BRN 0507238
    • Pyrazole, 4-(methylamino)-
    • MDL: MFCD01693420
    • Inchi: 1S/C4H7N3/c1-5-4-2-6-7-3-4/h2-3,5H,1H3,(H,6,7)
    • InChI Key: KWXQBZOSFMENLD-UHFFFAOYSA-N
    • SMILES: N(C)C1C=NNC=1

Computed Properties

  • Exact Mass: 97.06411
  • Monoisotopic Mass: 97.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 54.9
  • 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: 0.2
  • Topological Polar Surface Area: 40.7?2

Experimental Properties

  • Density: 1.207
  • Boiling Point: 292.2°Cat760mmHg
  • Flash Point: 130.5°C
  • Refractive Index: 1.623
  • PSA: 40.71

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Additional information on N-methyl-1H-pyrazol-4-amine

N-methyl-1H-pyrazol-4-amine (CAS No. 28466-28-6): A Comprehensive Overview in Modern Chemical Biology

N-methyl-1H-pyrazol-4-amine, identified by the CAS number 28466-28-6, is a heterocyclic organic compound that has garnered significant attention in the field of chemical biology due to its versatile structural framework and potential biological activities. This compound belongs to the pyrazole class, which is renowned for its broad spectrum of pharmacological applications. The presence of an amine group at the 4-position and a methyl substituent at the 1-position introduces unique reactivity and functionalization possibilities, making it a valuable scaffold for drug discovery and molecular research.

The< strong>pyrazole core structure is characterized by a five-membered ring containing two nitrogen atoms, which imparts remarkable stability and reactivity. This inherent stability allows< strong>N-methyl-1H-pyrazol-4-amine to serve as a robust platform for further chemical modifications, enabling the synthesis of derivatives with tailored biological properties. In recent years, there has been a surge in research focused on developing novel therapeutic agents based on pyrazole derivatives, owing to their demonstrated efficacy in various pharmacological contexts.

One of the most compelling aspects of< strong>N-methyl-1H-pyrazol-4-amine is its potential as an intermediate in the synthesis of bioactive molecules. The amine functionality at the 4-position can undergo a variety of chemical reactions, including nucleophilic substitution, condensation reactions, and coupling processes, facilitating the construction of complex molecular architectures. These reactions are pivotal in medicinal chemistry, where precise control over molecular structure is essential for achieving desired pharmacological outcomes.

In the realm of drug discovery, N-methyl-1H-pyrazol-4-amine has been explored for its potential role in modulating enzyme activity and receptor binding. For instance, pyrazole derivatives have shown promise in inhibiting enzymes such as kinases and phosphodiesterases, which are often implicated in various disease pathways. The methyl group at the 1-position can influence electronic properties and steric interactions, thereby fine-tuning the binding affinity and selectivity of derived compounds. This flexibility makes< strong>N-methyl-1H-pyrazol-4-amine a compelling candidate for structure-based drug design.

Recent advancements in computational chemistry have further enhanced the utility of< strong>N-methyl-1H-pyrazol-4-amine in drug development. Molecular modeling studies have revealed insights into how this compound interacts with biological targets at the atomic level. These insights are crucial for rationalizing experimental observations and guiding the optimization of lead compounds. By leveraging computational tools, researchers can predict binding modes, identify key interaction residues, and design analogs with improved pharmacokinetic profiles.

The< strong>biological activity of< strong>N-methyl-1H-pyrazol-4-amine has also been investigated in various preclinical models. Studies have demonstrated its potential as an anti-inflammatory agent, owing to its ability to modulate inflammatory pathways. Additionally, derivatives of this compound have exhibited antiviral and anticancer properties, underscoring its therapeutic relevance. These findings highlight the importance of< strong>N-methyl-1H-pyrazol-4-amine as a building block for developing novel therapeutics.

In conclusion, N-methyl-1H-pyrazol-4-amine (CAS No. 28466-28-6) represents a fascinating compound with significant implications in chemical biology and drug discovery. Its unique structural features and reactivity make it an invaluable scaffold for synthesizing bioactive molecules with diverse pharmacological applications. As research in this field continues to evolve,< strong>N-methyl-1H-pyrazol-4-am ineis poised to play an increasingly pivotal role in developing next-generation therapeutic agents.

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