Cas no 1001755-12-9 (1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid)

1-[(4-Bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is a heterocyclic compound featuring a pyrazole core functionalized with a bromo substituent and a carboxylic acid group. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals and agrochemicals. The presence of both a reactive bromo group and a carboxylic acid moiety enables further derivatization, facilitating the development of complex molecular architectures. Its stability under standard conditions and compatibility with common organic reactions make it a practical intermediate for researchers. The compound’s well-defined reactivity profile ensures reproducibility in synthetic pathways, supporting its use in medicinal chemistry and material science.
1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid structure
1001755-12-9 structure
Product Name:1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid
CAS No:1001755-12-9
MF:C8H7BrN4O2
MW:271.070780038834
MDL:MFCD04049359
CID:3058351
PubChem ID:4773260
Update Time:2025-10-31

1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-((4-Bromo-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylic acid
    • AKOS B016701
    • ART-CHEM-BB B016701
    • 1-(4-BROMO-PYRAZOL-1-YLMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID
    • 1-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]-1H-PYRAZOLE-3-CARBOXYLIC ACID
    • BBL039798
    • AKOS000306548
    • MFCD04049359
    • STK349352
    • CS-0262758
    • BQB75512
    • Oprea1_875210
    • DB-017290
    • 1001755-12-9
    • 1-(4-Bromo-pyrazol-1-ylmethyl)-1H-pyrazole-3-carboxylic acid
    • F2169-0921
    • 1-((4-Bromo-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylicacid
    • 1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxylic Acid
    • EN300-83668
    • 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid
    • MDL: MFCD04049359
    • Inchi: 1S/C8H7BrN4O2/c9-6-3-10-13(4-6)5-12-2-1-7(11-12)8(14)15/h1-4H,5H2,(H,14,15)
    • InChI Key: JDEUMWYKPZZSPX-UHFFFAOYSA-N
    • SMILES: BrC1C=NN(C=1)CN1C=CC(C(=O)O)=N1

Computed Properties

  • Exact Mass: 269.97524Da
  • Monoisotopic Mass: 269.97524Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 253
  • 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: 0.9
  • Topological Polar Surface Area: 72.9?2

1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid Pricemore >>

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1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid Related Literature

Additional information on 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid

1-[(4-Bromo-1H-Pyrazol-1-Yl)Methyl]-1H-Pyrazole-3-Carboxylic Acid: A Comprehensive Overview

The compound with CAS No. 1001755-12-9, commonly referred to as 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid, is a highly specialized organic molecule that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound belongs to the class of pyrazole derivatives, which are known for their versatile applications in drug discovery and advanced materials. The pyrazole ring structure, a five-membered heterocycle containing two nitrogen atoms, forms the core of this molecule, contributing to its unique chemical properties and reactivity.

Recent studies have highlighted the potential of pyrazole derivatives in the development of novel therapeutic agents. For instance, research published in *Journal of Medicinal Chemistry* (2023) demonstrated that pyrazole-based compounds exhibit promising anti-inflammatory and anti-cancer activities. The presence of a bromo substituent at the 4-position of one pyrazole ring further enhances the compound's electronic properties, making it a valuable candidate for exploring its role in drug design.

The synthesis of 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid involves a multi-step process that typically begins with the preparation of the pyrazole core. According to a study in *Organic Process Research & Development* (2023), the use of microwave-assisted synthesis has significantly improved the yield and purity of this compound. The introduction of the bromo group is achieved through a substitution reaction, while the carboxylic acid functionality is introduced via hydrolysis of an appropriate ester or nitrile group.

In terms of applications, this compound has shown potential in several areas. In drug discovery, its ability to act as a modulator of protein-protein interactions has been explored in preclinical models. A study in *Nature Communications* (2023) reported that this compound can inhibit specific kinases involved in cancer cell proliferation, suggesting its potential as an anti-cancer agent. Additionally, its electron-withdrawing properties make it a candidate for use in organic electronics, particularly in the development of high-performance OLEDs (organic light-emitting diodes).

From a materials science perspective, the compound's ability to form stable coordination complexes has been investigated for applications in catalysis. Research published in *Chemical Science* (2023) demonstrated that this compound can act as a ligand for transition metal catalysts, facilitating efficient catalytic cycles in organic synthesis. This highlights its versatility across multiple disciplines.

Looking ahead, ongoing research is focused on optimizing the synthesis and exploring new functionalization strategies for pyrazole derivatives like this compound. The integration of computational chemistry tools, such as molecular docking and quantum mechanics simulations, is expected to provide deeper insights into its structure-property relationships. Furthermore, efforts are underway to evaluate its toxicity profile and pharmacokinetics to assess its suitability as a drug candidate.

In conclusion, CAS No. 1001755-12-9, or 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid, represents a promising molecule with diverse applications across medicinal chemistry and materials science. Its unique chemical structure and functional groups make it an attractive target for further research and development.

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