Cas no 1171645-70-7 (1,4-dimethyl-1H-pyrazole-5-carbaldehyde)

1,4-Dimethyl-1H-pyrazole-5-carbaldehyde is a versatile heterocyclic aldehyde with applications in organic synthesis and pharmaceutical research. Its pyrazole core, functionalized with an aldehyde group at the 5-position and methyl substituents at the 1- and 4-positions, makes it a valuable intermediate for constructing complex molecules. The compound exhibits high reactivity in condensation and nucleophilic addition reactions, enabling the synthesis of diverse derivatives, including Schiff bases and heterocyclic scaffolds. Its well-defined structure and stability under standard conditions facilitate precise modifications in medicinal chemistry and material science. The product is typically supplied with high purity, ensuring reproducibility in research and industrial applications.
1,4-dimethyl-1H-pyrazole-5-carbaldehyde structure
1171645-70-7 structure
Product Name:1,4-dimethyl-1H-pyrazole-5-carbaldehyde
CAS No:1171645-70-7
MF:C6H8N2O
MW:124.1405210495
MDL:MFCD11506567
CID:1078103
PubChem ID:20718558
Update Time:2025-05-20

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

Names and Identifiers

    • 2,4-Dimethyl-2H-pyrazole-3-carbaldehyde
    • 2,4-dimethylpyrazole-3-carbaldehyde
    • 1,4-dimethyl-1H-pyrazole-5-carbaldehyde
    • AMY33241
    • AT14270
    • AB64141
    • STL411795
    • 1,4-Dimethyl-1H-pyrazole-5-carbaldehyde, AldrichCPR
    • SCHEMBL2516619
    • DB-355234
    • EN300-155240
    • 1,4-dimethylpyrazole-5-carbaldehyde
    • 1171645-70-7
    • SY082898
    • AKOS000301993
    • MFCD11506567
    • Z1198323741
    • CS-0137699
    • MDL: MFCD11506567
    • Inchi: 1S/C6H8N2O/c1-5-3-7-8(2)6(5)4-9/h3-4H,1-2H3
    • InChI Key: LGRBNVXIPYCEFL-UHFFFAOYSA-N
    • SMILES: O=CC1=C(C)C=NN1C

Computed Properties

  • Exact Mass: 124.063662883 g/mol
  • Monoisotopic Mass: 124.063662883 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 116
  • 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
  • Molecular Weight: 124.14
  • XLogP3: 0.4
  • Topological Polar Surface Area: 34.9?2

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Additional information on 1,4-dimethyl-1H-pyrazole-5-carbaldehyde

Introduction to 1,4-dimethyl-1H-pyrazole-5-carbaldehyde (CAS No. 1171645-70-7) and Its Emerging Applications in Chemical Biology and Medicinal Chemistry

1,4-dimethyl-1H-pyrazole-5-carbaldehyde, identified by the CAS number 1171645-70-7, is a heterocyclic compound that has garnered significant attention in the fields of chemical biology and medicinal chemistry due to its versatile structural framework and potential biological activities. This compound belongs to the pyrazole class, which is well-documented for its broad spectrum of pharmacological properties, including antimicrobial, anti-inflammatory, and anticancer effects. The presence of both aldehyde and methyl substituents in its structure enhances its reactivity, making it a valuable scaffold for further derivatization and drug development.

The1,4-dimethyl-1H-pyrazole-5-carbaldehyde molecule exhibits a unique combination of electronic and steric properties that make it an attractive candidate for synthetic applications. The aldehyde functional group at the 5-position serves as a reactive site for condensation reactions, while the methyl groups at the 1- and 4-positions influence the overall electronic distribution and molecular shape. These features have been exploited in various synthetic protocols to generate more complex derivatives with tailored biological functions.

In recent years, there has been a surge in research focused on developing novel heterocyclic compounds for therapeutic purposes. Pyrazole derivatives, in particular, have been extensively studied due to their ability to modulate biological pathways through interactions with specific targets. For instance, studies have demonstrated that1,4-dimethyl-1H-pyrazole-5-carbaldehyde can serve as a precursor for synthesizing compounds that exhibit inhibitory effects on enzymes such as kinases and phosphodiesterases. These enzymes are often implicated in diseases like cancer and inflammatory disorders, making such derivatives promising candidates for further investigation.

TheCAS No. 1171645-70-7 identifier ensures unambiguous identification of this compound in scientific literature and patents. This standardized nomenclature is crucial for researchers involved in drug discovery and development, as it facilitates accurate referencing and avoids confusion with structurally similar compounds. The compound’s stability under various storage conditions also makes it a practical choice for laboratory-scale synthesis and purification processes.

One of the most compelling aspects of1,4-dimethyl-1H-pyrazole-5-carbaldehyde is its role as a building block in medicinal chemistry. Researchers have leveraged its reactivity to develop libraries of derivatives with enhanced binding affinity to biological targets. For example, modifications at the 3-position of the pyrazole ring have been shown to improve potency against certain cancer-related proteins. Such structural optimizations are often guided by computational modeling techniques that predict how changes in the molecular structure will affect biological activity.

The compound’s utility extends beyond academic research; it has also found applications in industrial settings where high-throughput screening is employed to identify lead compounds for drug development. TheCAS No. 1171645-70-7 registration ensures that manufacturers can reliably source this material while adhering to regulatory standards. This accessibility is critical for pharmaceutical companies aiming to accelerate their drug discovery pipelines.

In addition to its pharmacological potential,1,4-dimethyl-1H-pyrazole-5-carbaldehyde has been explored in materials science applications. Its ability to participate in coordination chemistry with metal ions has led to studies on its use as a ligand or catalyst precursor. Such applications highlight the compound’s versatility beyond traditional biological contexts.

The synthesis of1,4-dimethyl-1H-pyrazole-5-carbaldehyde typically involves multi-step organic transformations starting from readily available precursors. Advances in synthetic methodologies have enabled more efficient routes to this compound, reducing production costs and improving yields. These improvements are essential for scaling up synthesis while maintaining high purity standards required for pharmaceutical applications.

Emerging research suggests thatCAS No. 1171645-70-7-based compounds may have utility in addressing emerging therapeutic challenges, such as antibiotic resistance or neurodegenerative diseases. By serving as a scaffold for structure-based drug design, this molecule offers a pathway to develop novel treatments targeting complex diseases with limited therapeutic options.

The growing body of literature on1,4-dimethyl-1H-pyrazole-5-carbaldehyde underscores its significance as both a research tool and a potential therapeutic agent. As synthetic chemists continue to innovate new derivatives and applications emerge from interdisciplinary collaborations between biologists and medicinal chemists,CAS No.1171645-70-7, 1,4-dimethylpyrazolonealdehyde (commonly referred as 1-methyl-substituted-heterocyclic-aldehydes), will remain at the forefront of chemical biology research.

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