Cas no 1006472-78-1 (1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine)

1-(1H-Pyrazol-1-yl)methyl-1H-pyrazol-3-amine is a heterocyclic compound featuring a pyrazole core with an amine functional group at the 3-position and a pyrazol-1-ylmethyl substituent at the 1-position. This structure imparts versatility in coordination chemistry and potential applications in pharmaceutical and agrochemical research. The presence of multiple nitrogen atoms enhances its ability to act as a ligand in metal complexes, while the amine group offers reactivity for further functionalization. Its stable yet modifiable framework makes it a valuable intermediate in synthetic chemistry, particularly for designing biologically active molecules. The compound’s well-defined structure ensures reproducibility in research and industrial applications.
1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine structure
1006472-78-1 structure
Product Name:1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine
CAS No:1006472-78-1
MF:C7H9N5
MW:163.179859876633
MDL:MFCD04967726
CID:3058357
PubChem ID:19618517
Update Time:2025-08-03

1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 1-((1H-Pyrazol-1-yl)methyl)-1H-pyrazol-3-amine
    • 1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine
    • EN300-229132
    • 1-(pyrazol-1-ylmethyl)pyrazol-3-amine
    • 1006472-78-1
    • BBL040946
    • 1-Pyrazol-1-ylmethyl-1H-pyrazol-3-ylamine
    • STL414438
    • 1-[(1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-amine
    • 1-(1H-PYRAZOL-1-YLMETHYL)-1H-PYRAZOL-3-AMINE
    • GQB47278
    • AKOS000306596
    • MDL: MFCD04967726
    • Inchi: 1S/C7H9N5/c8-7-2-5-12(10-7)6-11-4-1-3-9-11/h1-5H,6H2,(H2,8,10)
    • InChI Key: JEVSSXXUFZJQDI-UHFFFAOYSA-N
    • SMILES: N1(C=CC(N)=N1)CN1C=CC=N1

Computed Properties

  • Exact Mass: 163.08579531Da
  • Monoisotopic Mass: 163.08579531Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 151
  • 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
  • Topological Polar Surface Area: 61.7?2

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Additional information on 1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine

1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine: A Comprehensive Overview

The compound with CAS No. 1006472-78-1, commonly referred to as 1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine, has garnered significant attention in the field of organic chemistry due to its unique structural properties and potential applications in drug discovery and materials science. This molecule, characterized by its pyrazole ring system, exhibits a diverse range of chemical reactivity and biological activity, making it a subject of extensive research.

Pyrazole, a five-membered aromatic heterocycle containing two nitrogen atoms, is a fundamental building block in many bioactive compounds. The methyl group attached to the pyrazole ring in this compound introduces additional complexity to its structure, influencing its electronic properties and reactivity. Recent studies have highlighted the importance of such modifications in enhancing the molecule's ability to interact with biological targets, such as enzymes and receptors.

The synthesis of 1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine involves a series of carefully controlled reactions, including nucleophilic aromatic substitution and condensation processes. Researchers have explored various methodologies to optimize the yield and purity of this compound, leveraging advancements in catalytic systems and reaction conditions. For instance, the use of microwave-assisted synthesis has been shown to significantly accelerate the reaction process while maintaining high product quality.

In terms of applications, this compound has demonstrated potential in the development of novel pharmaceutical agents. Its ability to act as a template for bioisosteric replacements makes it valuable in drug design, where subtle structural modifications can lead to improved pharmacokinetic properties. Additionally, the compound's role as a building block in more complex molecular architectures has been explored in materials science, particularly in the synthesis of advanced polymers and coordination complexes.

Recent breakthroughs in computational chemistry have further elucidated the electronic structure and reactivity of 1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine. Quantum mechanical calculations have provided insights into its π-electron distribution and bonding characteristics, which are critical for understanding its interaction with other molecules. These findings have been instrumental in guiding experimental studies aimed at harnessing its unique properties for practical applications.

The integration of experimental and computational approaches has also shed light on the compound's potential as a catalyst in organic transformations. Its ability to stabilize transition states through hydrogen bonding and π-interactions makes it a promising candidate for asymmetric catalysis, particularly in reactions involving enamine intermediates.

Furthermore, the environmental impact of synthesizing and utilizing this compound has become a focal point of recent research. Efforts are being made to develop greener synthesis routes that minimize waste generation and energy consumption. For example, the use of renewable solvents and biodegradable catalysts has been proposed as a sustainable alternative to traditional methods.

In conclusion, 1-(1H-pyrazol-1-yl)methyl-1H-pyrazol-3-amine stands as a testament to the intricate relationship between molecular structure and functionality. Its versatility across multiple domains underscores the importance of continued research into its properties and applications. As new discoveries emerge, this compound is poised to play an increasingly significant role in advancing both academic and industrial pursuits.

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