Cas no 1001499-90-6 (methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate)

Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate is a heterocyclic compound featuring a pyrazole core substituted with chloro and methyl groups, further functionalized with a carboxylate ester. This structure imparts versatility in synthetic applications, particularly as an intermediate in agrochemical and pharmaceutical research. The presence of both electron-withdrawing (chloro) and electron-donating (methyl) groups enhances its reactivity in nucleophilic and electrophilic substitution reactions. The ester moiety allows for further derivatization, making it valuable for constructing complex molecular frameworks. Its stability under standard conditions and well-defined reactivity profile make it a reliable building block for specialized chemical synthesis.
methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate structure
1001499-90-6 structure
Product Name:methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate
CAS No:1001499-90-6
MF:C11H13ClN4O2
MW:268.69952082634
MDL:MFCD04969139
CID:3058578
PubChem ID:7017461
Update Time:2025-05-19

methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • <br>1-(4-Chloro-3,5-dimethyl-pyrazol-1-ylmethyl)-1 H -pyrazole-3-carboxylic aci d methyl ester
    • AKOS B018607
    • ART-CHEM-BB B018607
    • 1-(4-CHLORO-3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
    • methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate
    • 1001499-90-6
    • Methyl1-((4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylate
    • AKOS000307879
    • DTXSID901131023
    • 1-(4-Chloro-3,5-dimethyl-pyrazol-1-ylmethyl)-1H-pyrazole-3-carboxylic acid methyl ester
    • methyl 1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylate
    • methyl 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
    • BBL039056
    • STK312927
    • CS-0282803
    • EN300-229334
    • Methyl 1-((4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylate
    • MDL： MFCD04969139
    • Inchi： 1S/C11H13ClN4O2/c1-7-10(12)8(2)16(13-7)6-15-5-4-9(14-15)11(17)18-3/h4-5H,6H2,1-3H3
    • InChI Key： TVOFRCQCJUVYHJ-UHFFFAOYSA-N
    • SMILES： ClC1C(C)=NN(C=1C)CN1C=CC(C(=O)OC)=N1

Computed Properties

  • Exact Mass: 268.0727034Da
  • Monoisotopic Mass: 268.0727034Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 317
  • 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: 2
  • Topological Polar Surface Area: 61.9?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 410.2±45.0 °C at 760 mmHg
  • Flash Point: 201.9±28.7 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate Security Information

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methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate Related Literature

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Additional information on methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate

Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate: A Comprehensive Overview

Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate (CAS No. 1001499-90-6) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, characterized by its intricate molecular structure, holds promise in various applications, particularly in the development of novel therapeutic agents and biochemical research tools. Its unique chemical properties and potential biological activities make it a subject of extensive interest among researchers.

The molecular framework of Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate consists of multiple heterocyclic rings, including a pyrazole core substituted with chloro and methyl groups. This structural configuration imparts distinct electronic and steric properties, which are crucial for its interaction with biological targets. The presence of the chloro substituent at the 4-position of the pyrazole ring enhances its reactivity, making it a valuable intermediate in synthetic chemistry.

In recent years, there has been a surge in research focused on developing small molecules with pyrazole derivatives due to their diverse pharmacological properties. Pyrazole-based compounds have been extensively studied for their potential applications in treating various diseases, including cancer, inflammation, and infectious disorders. The specific substitution pattern in Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate makes it an intriguing candidate for further exploration in drug discovery.

One of the most compelling aspects of this compound is its role as a building block in the synthesis of more complex molecules. The carboxylate group at the 3-position of the pyrazole ring provides a versatile handle for further functionalization, allowing chemists to design novel analogs with tailored biological activities. This flexibility has made Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate a valuable asset in medicinal chemistry libraries.

Recent studies have highlighted the potential of chlorinated pyrazole derivatives as kinase inhibitors. Kinases are enzymes that play a critical role in many cellular processes, and their dysregulation is often associated with diseases such as cancer. The chloro substituent in Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate is believed to enhance its binding affinity to kinase active sites, making it a promising lead compound for developing targeted therapies.

The synthesis of Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl-1H-pyrazole-3-carboxylate involves multi-step organic transformations that showcase the expertise of synthetic chemists. The process typically begins with the preparation of a halogenated pyrazole precursor, followed by functional group interconversions to introduce the desired substituents. The use of palladium-catalyzed cross-coupling reactions has been particularly effective in constructing the complex heterocyclic core of this compound.

The biological evaluation of Methyl 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-ylmethyl)- has revealed several interesting findings. In vitro assays have demonstrated its ability to inhibit the growth of certain cancer cell lines by modulating key signaling pathways. Additionally, preliminary studies suggest that this compound may exhibit anti-inflammatory properties by interacting with specific transcription factors involved in inflammation regulation.

The structural diversity offered by Methyl 1-(4-chloro

The pharmaceutical industry has shown considerable interest in exploring novel derivatives of pyrazole-based compounds due to their favorable pharmacokinetic profiles and low toxicity. The synthetic accessibility of Methyl

In conclusion, Methyl

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