Cas no 1005696-51-4 (2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide)

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide structure
1005696-51-4 structure
Product Name:2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide
CAS No:1005696-51-4
MF:C9H15ClN4O
MW:230.694600343704
MDL:MFCD04969799
CID:3059310
PubChem ID:17024672
Update Time:2025-10-29

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide
    • 2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanehydrazide
    • BBL038818
    • EN300-229534
    • STK312597
    • 1005696-51-4
    • AKOS000310321
    • 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanohydrazide
    • 2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-butyric acid hydrazide
    • MDL: MFCD04969799
    • Inchi: 1S/C9H15ClN4O/c1-4-7(9(15)12-11)14-6(3)8(10)5(2)13-14/h7H,4,11H2,1-3H3,(H,12,15)
    • InChI Key: FGUDMXVDUQKYDS-UHFFFAOYSA-N
    • SMILES: ClC1C(C)=NN(C=1C)C(C(NN)=O)CC

Computed Properties

  • Exact Mass: 230.0934388Da
  • Monoisotopic Mass: 230.0934388Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 238
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 72.9?2

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Additional information on 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide: A Comprehensive Overview

The compound with CAS No. 1005696-51-4, known as 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide, is a highly specialized organic compound with significant applications in various fields of chemistry and material science. This compound has garnered attention due to its unique structural properties and potential for use in advanced chemical synthesis and catalytic processes. Recent studies have highlighted its role in the development of novel materials and its ability to participate in intricate chemical reactions that yield high-performance compounds.

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide is characterized by its pyrazole ring, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The pyrazole ring in this compound is substituted with chlorine and two methyl groups at the 3 and 5 positions, respectively. This substitution pattern imparts unique electronic properties to the molecule, making it highly reactive in certain chemical environments. The butanehydrazide group attached to the pyrazole ring further enhances the compound's versatility, enabling it to participate in a wide range of reactions such as nucleophilic substitutions and condensation reactions.

Recent research has focused on the synthesis and characterization of 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide, particularly its role as an intermediate in the production of advanced pharmaceuticals and agrochemicals. Studies have demonstrated that this compound can serve as a building block for constructing bioactive molecules with potential applications in disease treatment and crop protection. Its ability to form stable complexes with metal ions has also been explored, opening avenues for its use in catalysis and coordination chemistry.

The synthesis of 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanehydrazide typically involves multi-step processes that require precise control over reaction conditions to ensure high yields and purity. Researchers have optimized synthetic routes by employing novel catalysts and green chemistry principles, reducing the environmental impact of its production. These advancements have made the compound more accessible for industrial applications while maintaining its high quality.

In terms of applications, 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yli butanehydrazide has shown promise in the development of advanced materials such as polymers and ceramics. Its ability to act as a cross-linking agent or a precursor for functional materials has been extensively studied. Additionally, its role in drug delivery systems has been explored, where it serves as a carrier for bioactive molecules, enhancing their stability and bioavailability.

Recent breakthroughs in computational chemistry have enabled researchers to model the behavior of 2-(4-Chloro-3,5-dimethyl-1H-pyrazol -1-yli butanehydrazide at the molecular level. These studies provide insights into its electronic structure, reactivity, and interaction with other molecules. Such computational tools are invaluable for predicting the outcomes of chemical reactions involving this compound and for designing new molecules based on its structure.

In conclusion, 2-(4-Chloro -3 ,5 -dimethyl -1 H -py razol -1 -yl )but anehyd razide (CAS No. 1005696 -5 1 -4 ) is a versatile compound with a wide range of applications across various scientific disciplines. Its unique structural features and reactivity make it an invaluable tool in modern chemistry research. As ongoing studies continue to uncover new properties and uses for this compound, it is poised to play an even more significant role in advancing scientific knowledge and technological innovation.

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