Cas no 98484-97-0 (3,5-dimethyl-1H-pyrazole-4-carbohydrazide)

3,5-Dimethyl-1H-pyrazole-4-carbohydrazide is a heterocyclic carbohydrazide derivative with potential applications in organic synthesis and pharmaceutical research. Its pyrazole core, functionalized with a carbohydrazide group, offers versatility as a building block for the development of bioactive compounds, including agrochemicals and medicinal agents. The presence of methyl groups at the 3- and 5-positions enhances steric and electronic properties, influencing reactivity and stability. This compound may serve as a precursor for hydrazone formation or metal coordination, making it valuable in ligand design and catalysis. Its well-defined structure and synthetic utility make it suitable for specialized research in heterocyclic and coordination chemistry.
3,5-dimethyl-1H-pyrazole-4-carbohydrazide structure
98484-97-0 structure
Product Name:3,5-dimethyl-1H-pyrazole-4-carbohydrazide
CAS No:98484-97-0
MF:C6H10N4O
MW:154.169800281525
MDL:MFCD07437052
CID:801838
PubChem ID:43583235
Update Time:2025-06-11

3,5-dimethyl-1H-pyrazole-4-carbohydrazide Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-, hydrazide
    • 3,5-dimethyl-1H-pyrazole-4-carbohydrazide
    • LS-05959
    • AKOS002657212
    • BB 0254075
    • 98484-97-0
    • CS-0318949
    • DTXSID20656200
    • MFCD07437052
    • MDL: MFCD07437052
    • Inchi: 1S/C6H10N4O/c1-3-5(6(11)8-7)4(2)10-9-3/h7H2,1-2H3,(H,8,11)(H,9,10)
    • InChI Key: ICEOTPBVZRLJES-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C)=NNC=1C)NN

Computed Properties

  • Exact Mass: 154.085
  • Monoisotopic Mass: 154.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: -0.5
  • Topological Polar Surface Area: 83.8A^2

3,5-dimethyl-1H-pyrazole-4-carbohydrazide Pricemore >>

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Additional information on 3,5-dimethyl-1H-pyrazole-4-carbohydrazide

Professional Introduction to 3,5-dimethyl-1H-pyrazole-4-carbohydrazide (CAS No. 98484-97-0)

3,5-dimethyl-1H-pyrazole-4-carbohydrazide, identified by the chemical compound code CAS No. 98484-97-0, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrazole class, a versatile scaffold widely recognized for its broad spectrum of biological activities. The structural features of 3,5-dimethyl-1H-pyrazole-4-carbohydrazide, particularly the presence of two methyl groups at the 3- and 5-positions and a carbohydrazide functional group at the 4-position, contribute to its unique chemical properties and potential applications in drug discovery.

The pyrazole core is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 5. This structural motif is known for its stability and ability to interact with biological targets through hydrogen bonding and other non-covalent interactions. The 3,5-dimethyl substitution enhances the lipophilicity of the molecule, making it more suitable for membrane permeability and cellular uptake. Additionally, the carbohydrazide group at the 4-position introduces a reactive site that can participate in various chemical transformations, including condensation reactions with aldehydes and ketones, forming Schiff bases or hydrazones.

In recent years, 3,5-dimethyl-1H-pyrazole-4-carbohydrazide has been extensively studied for its potential pharmacological effects. One of the most promising areas of research is its application as an intermediate in the synthesis of bioactive molecules. For instance, it has been utilized in the development of novel antimicrobial agents. The structural similarity of pyrazole derivatives to known antibiotics allows them to disrupt bacterial cell wall synthesis or interfere with essential metabolic pathways. Preliminary studies have shown that compounds derived from 3,5-dimethyl-1H-pyrazole-4-carbohydrazide exhibit inhibitory activity against Gram-positive bacteria, making them valuable candidates for further exploration.

Another significant area of interest is the use of 3,5-dimethyl-1H-pyrazole-4-carbohydrazide in anticancer research. Pyrazole derivatives have been reported to possess cytotoxic properties by inducing apoptosis or inhibiting tumor cell proliferation. The carbohydrazide moiety plays a crucial role in these interactions by forming stable complexes with biological targets such as enzymes or receptors overexpressed in cancer cells. Recent advancements in computational chemistry have enabled researchers to predict novel derivatives of 3,5-dimethyl-1H-pyrazole-4-carbohydrazide with enhanced efficacy and reduced toxicity. These virtual screening approaches have identified several lead compounds that are now undergoing experimental validation.

The compound's potential extends beyond antimicrobial and anticancer applications. It has also been explored as a precursor in the synthesis of agrochemicals, where pyrazole derivatives are used as herbicides or fungicides due to their ability to disrupt plant growth regulators or fungal metabolic pathways. The 3,5-dimethyl substituents contribute to the stability of these agrochemicals under environmental conditions, ensuring prolonged activity and effectiveness.

The synthesis of 3,5-dimethyl-1H-pyrazole-4-carbohydrazide involves multi-step organic reactions that require precise control over reaction conditions to achieve high yields and purity. Common synthetic routes include condensation reactions between hydrazine hydrate and appropriately substituted diketones or oxoacids under controlled pH and temperature conditions. Advances in catalytic methods have also enabled more efficient synthesis pathways, reducing waste generation and improving scalability for industrial applications.

From a regulatory perspective, 3,5-dimethyl-1H-pyrazole-4-carbohydrazide (CAS No. 98484-97-0) is subject to standard chemical safety protocols due to its reactive functional groups. While it is not classified as a hazardous material under current regulations, proper handling procedures must be followed to prevent unintended reactions or exposure risks during laboratory or industrial use.

The future prospects for 3,5-dimethyl-1H-pyразоле -4 -карбогидразид are promising, with ongoing research focusing on expanding its applications into neurological disorders and inflammatory diseases. The unique structural features of this compound make it an attractive scaffold for designing molecules that can modulate neurotransmitter systems or inhibit inflammatory cytokines. Collaborative efforts between academic institutions and pharmaceutical companies are expected to yield innovative therapeutic agents based on this platform.

In conclusion,3 ,5 -диметил -1Н -пиролез -4 -карбогидразид(CAS No .98484 -97 -0)is a multifunctional compound with significant potential in pharmaceuticals ,agrochemicals ,and material science .Its structural versatility ,combined with recent advances in synthetic methodologies and computational drug design ,positions it as a valuable building block for future discoveries .As research continues to uncover new applications ,this compound is poised to play an increasingly important role in addressing global health challenges.

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