Cas no 1003989-04-5 (4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide)

4-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide is a brominated pyrazole derivative featuring a benzohydrazide functional group. This compound is of interest in medicinal and synthetic chemistry due to its versatile reactivity, particularly as a building block for the development of pharmacologically active molecules. The presence of the bromine substituent enhances its utility in cross-coupling reactions, while the hydrazide moiety offers opportunities for further derivatization. Its stable crystalline structure and well-defined molecular properties make it suitable for research applications, including the synthesis of heterocyclic compounds and potential drug candidates. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light.
4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide structure
1003989-04-5 structure
Product Name:4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide
CAS No:1003989-04-5
MF:C13H15BrN4O
MW:323.188401460648
MDL:MFCD02055648
CID:3057743
PubChem ID:674779
Update Time:2025-06-15

4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide Chemical and Physical Properties

Names and Identifiers

    • 4-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzohydrazide
    • 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide
    • EN300-227842
    • STK348761
    • 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
    • 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzohydrazide
    • Oprea1_040644
    • BBL039478
    • CS-0282738
    • 1003989-04-5
    • 4-(4-Bromo-3,5-dimethyl-pyrazol-1-ylmethyl)-benzoic acid hydrazide
    • AKOS000304143
    • MDL: MFCD02055648
    • Inchi: 1S/C13H15BrN4O/c1-8-12(14)9(2)18(17-8)7-10-3-5-11(6-4-10)13(19)16-15/h3-6H,7,15H2,1-2H3,(H,16,19)
    • InChI Key: NMMFXPCZBGUJCR-UHFFFAOYSA-N
    • SMILES: BrC1C(C)=NN(C=1C)CC1C=CC(C(NN)=O)=CC=1

Computed Properties

  • Exact Mass: 322.04292Da
  • Monoisotopic Mass: 322.04292Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 320
  • 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: 1.9
  • Topological Polar Surface Area: 72.9?2

4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide Pricemore >>

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Additional information on 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide

Professional Introduction to 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide (CAS No. 1003989-04-5)

4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide, a compound with the CAS number 1003989-04-5, represents a significant advancement in the field of pharmaceutical chemistry. This compound belongs to a class of heterocyclic derivatives that have garnered considerable attention due to their potential biological activities. The molecular structure of this compound incorporates a pyrazole core, which is a well-known scaffold in medicinal chemistry, known for its versatility and efficacy in various therapeutic applications.

The pyrazole moiety in 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide is particularly noteworthy, as it provides a platform for further functionalization and interaction with biological targets. The presence of bromine and methyl substituents at the 3 and 5 positions of the pyrazole ring enhances its reactivity and binding affinity. This structural feature makes it an attractive candidate for the development of novel drugs targeting various diseases.

Benzohydrazide, another key component of this compound, is known for its role in forming stable complexes with metal ions and its ability to act as a pharmacophore in drug design. The combination of these two functional groups in 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide suggests a multifaceted interaction potential with biological systems.

Recent research in the field of heterocyclic chemistry has highlighted the importance of pyrazole derivatives in drug discovery. Studies have demonstrated that compounds containing the pyrazole scaffold exhibit a wide range of biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. The specific substitution pattern in 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide may contribute to its unique pharmacological profile.

The benzohydrazide moiety has also been extensively studied for its pharmacological properties. It has been shown to interact with various enzymes and receptors, making it a valuable component in the design of drugs targeting neurological disorders, cardiovascular diseases, and metabolic conditions. The presence of this group in 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide may enhance its potential therapeutic applications.

In vitro studies have begun to explore the biological activity of 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide. Preliminary results suggest that this compound exhibits promising interactions with certain enzymes and receptors involved in disease pathways. These interactions could potentially lead to the development of new treatments for conditions such as cancer, inflammation, and neurodegenerative diseases.

The synthesis of 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide involves multiple steps that require careful optimization to ensure high yield and purity. Advanced synthetic techniques are employed to introduce the necessary substituents at specific positions on the pyrazole ring. The use of high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are crucial for characterizing the compound's structure and purity.

The development of new pharmaceuticals often involves rigorous testing to evaluate their safety and efficacy. In vivo studies are conducted to assess the pharmacokinetic properties of 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide, including its absorption, distribution, metabolism, excretion (ADME), and toxicity profile. These studies are essential for determining whether the compound is suitable for further development into a therapeutic agent.

The potential applications of 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzohydrazide extend beyond traditional pharmaceuticals. Its unique chemical properties make it a valuable tool in research settings for studying enzyme mechanisms and developing new diagnostic methods. Additionally, its structural features may inspire the design of novel compounds with enhanced biological activity.

The ongoing research into 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-ylmethylbenzohydrazide

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