Cas no 127107-29-3 (3-Amino-1-methyl-1H-pyrazole hydrochloride)

3-Amino-1-methyl-1H-pyrazole hydrochloride is a heterocyclic organic compound featuring a pyrazole core substituted with an amino group and a methyl group at the 1-position. The hydrochloride salt form enhances its stability and solubility, making it suitable for synthetic applications in pharmaceutical and agrochemical research. This compound serves as a versatile intermediate in the synthesis of biologically active molecules, including kinase inhibitors and other nitrogen-containing heterocycles. Its well-defined structure and reactivity facilitate precise modifications in medicinal chemistry. The crystalline solid form ensures consistent handling and storage, while its high purity (>98%) supports reliable performance in demanding reactions.
3-Amino-1-methyl-1H-pyrazole hydrochloride structure
127107-29-3 structure
Product Name:3-Amino-1-methyl-1H-pyrazole hydrochloride
CAS No:127107-29-3
MF:C4H8ClN3
MW:133.579419136047
MDL:MFCD20441419
CID:2602681
PubChem ID:329766623
Update Time:2025-05-26

3-Amino-1-methyl-1H-pyrazole hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-AMINO-1-METHYLPYRAZOLE HYDROCHLORIDE
    • 1-Methyl-1H-pyrazol-3-amine hydrochloride
    • 1-methylpyrazol-3-amine:hydrochloride
    • 3-Amino-1-methyl-1H-pyrazole hydrochloride
    • TUDAAXXXYJNTBQ-UHFFFAOYSA-N
    • 1-methylpyrazol-3-amine hydrochloride
    • DS-021878
    • 3-Amino-1-methyl-1H-pyrazole hydrochloride, 97%
    • 127107-29-3
    • 1-Methyl-1H-pyrazol-3-aminehydrochloride
    • 1-methylpyrazol-3-amine;hydrochloride
    • AKOS028109772
    • SCHEMBL1081476
    • MDL: MFCD20441419
    • Inchi: 1S/C4H7N3.ClH/c1-7-3-2-4(5)6-7;/h2-3H,1H3,(H2,5,6);1H
    • InChI Key: TUDAAXXXYJNTBQ-UHFFFAOYSA-N
    • SMILES: Cl.N1(C)C=CC(N)=N1

Computed Properties

  • Exact Mass: 133.0406750g/mol
  • Monoisotopic Mass: 133.0406750g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 64
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.8

Experimental Properties

  • Melting Point: 203-208?°C (decomposition)

3-Amino-1-methyl-1H-pyrazole hydrochloride Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • Storage Condition:2-8°C

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Additional information on 3-Amino-1-methyl-1H-pyrazole hydrochloride

3-Amino-1-methyl-1H-pyrazole Hydrochloride: A Comprehensive Overview

3-Amino-1-methyl-1H-pyrazole hydrochloride, also known by its CAS number CAS 127107-29-3, is a chemical compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is a derivative of pyrazole, a five-membered aromatic heterocycle, and its structure includes an amino group at the 3-position and a methyl group at the 1-position. The hydrochloride form indicates that it exists as a salt with hydrochloric acid, which is a common practice for stabilizing certain compounds and enhancing their solubility.

The synthesis of 3-amino-1-methylpyrazole hydrochloride involves various methods, including condensation reactions and nucleophilic substitutions. Recent studies have explored novel synthetic pathways to improve the yield and purity of this compound. For instance, researchers have employed microwave-assisted synthesis techniques to accelerate the reaction process while maintaining high product quality. These advancements underscore the importance of optimizing synthetic protocols for compounds like CAS 127107-29-3 in both academic and industrial settings.

In terms of applications, 3-amino pyrazole hydrochloride has been extensively studied for its potential in drug discovery. Pyrazole derivatives are known for their diverse biological activities, including anti-inflammatory, antitumor, and antimicrobial properties. Recent research has focused on modifying the substituents on the pyrazole ring to enhance these activities. For example, studies have demonstrated that the presence of an amino group at the 3-position significantly influences the compound's ability to interact with biological targets, making it a promising candidate for therapeutic development.

The structural properties of 3-amino methyl pyrazole hydrochloride also make it a valuable intermediate in organic synthesis. Its ability to undergo various functional group transformations allows chemists to build more complex molecules with tailored functionalities. For instance, the amino group can be used as a nucleophile in substitution reactions, while the methyl group provides steric bulk that can influence reactivity and selectivity.

From an analytical standpoint, determining the purity and stability of CAS 127107-29-3 is crucial for its application in research and development. Advanced analytical techniques such as high-performance liquid chromatography (HPLC) and mass spectrometry are commonly employed to characterize this compound. Recent studies have also investigated the thermal stability of 3-amino methyl pyrazole hydrochloride, revealing that it maintains structural integrity under moderate heating conditions, which is essential for its use in thermal reactions.

In conclusion, 3-amino methyl pyrazole hydrochloride (CAS 127107-29-3) is a versatile compound with significant potential in organic synthesis and drug discovery. Its unique chemical properties and diverse applications continue to make it a focal point in scientific research. As new synthetic methods and biological applications emerge, this compound will undoubtedly play an increasingly important role in advancing chemical science.

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