Cas no 10250-62-1 (methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate)

Methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate is a pyrazole-based ester compound with applications in pharmaceutical and agrochemical research. Its structure features a phenyl group at the 3-position and a carboxylate ester at the 5-position, enhancing reactivity for further functionalization. The compound serves as a versatile intermediate in heterocyclic synthesis, particularly for developing biologically active molecules. Its stability under standard conditions and well-defined melting point make it suitable for precise experimental use. The methyl ester group improves solubility in organic solvents, facilitating reactions such as hydrolysis or amidation. This compound is valued for its role in medicinal chemistry, particularly in the design of kinase inhibitors and other therapeutic agents.
methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate structure
10250-62-1 structure
Product Name:methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CAS No:10250-62-1
MF:C12H12N2O2
MW:216.235882759094
MDL:MFCD02323762
CID:1133530
PubChem ID:827016
Update Time:2025-10-29

methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-phenyl-, methyl ester
    • 1-Methyl-3-phenylpyrazol-5-carbonsaeure-methylester
    • methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate
    • AE-641/14883018
    • MFCD02323762
    • F2198-1272
    • CS-0444636
    • Methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate, AldrichCPR
    • SCHEMBL4298598
    • methyl 2-methyl-5-phenylpyrazole-3-carboxylate
    • GARYDBWEKAFUTK-UHFFFAOYSA-N
    • Methyl1-Methyl-3-phenylpyrazole-5-carboxylate
    • 10250-62-1
    • AKOS022944924
    • 2-methyl-5-phenyl-2H-pyrazole-3-carboxylic acid methyl ester
    • Methyl 1-methyl-3-phenylpyrazole-5-carboxylate
    • MDL: MFCD02323762
    • Inchi: 1S/C12H12N2O2/c1-14-11(12(15)16-2)8-10(13-14)9-6-4-3-5-7-9/h3-8H,1-2H3
    • InChI Key: GARYDBWEKAFUTK-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC(C2C=CC=CC=2)=NN1C)=O

Computed Properties

  • Exact Mass: 216.08996
  • Monoisotopic Mass: 216.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 251
  • 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: 2.1
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 368.9±30.0 °C at 760 mmHg
  • Flash Point: 176.9±24.6 °C
  • PSA: 44.12
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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Additional information on methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate

Introduction to Methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate (CAS No. 10250-62-1)

Methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate, identified by its CAS number 10250-62-1, is a significant compound in the field of pharmaceutical chemistry and organic synthesis. This compound belongs to the pyrazole class, which is renowned for its diverse biological activities and applications in drug development. The structural features of this molecule, particularly the presence of a methyl group at the 1-position and a phenyl group at the 3-position, contribute to its unique chemical properties and potential therapeutic benefits.

The pyrazole core is a heterocyclic aromatic compound that has garnered considerable attention in medicinal chemistry due to its ability to act as a scaffold for various bioactive molecules. Pyrazole derivatives are known for their involvement in processes such as enzyme inhibition, anti-inflammatory effects, and antimicrobial properties. The specific substitution pattern in methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate enhances its interaction with biological targets, making it a valuable candidate for further research and development.

In recent years, there has been a surge in the exploration of novel pyrazole derivatives as potential therapeutic agents. Researchers have been particularly interested in compounds that exhibit selective binding to biological receptors, leading to improved efficacy and reduced side effects. The structural complexity of methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate makes it an attractive molecule for studying structure-activity relationships (SARs). By modifying its substituents, scientists can fine-tune its biological activity to target specific diseases or conditions.

One of the most compelling aspects of this compound is its potential application in the treatment of neurological disorders. Pyrazole derivatives have shown promise in preclinical studies as modulators of neurotransmitter systems. For instance, studies have indicated that certain pyrazole compounds can interact with serotonin receptors, which are implicated in mood regulation and cognitive function. Methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate, with its unique structural features, may offer a new avenue for developing drugs that address these neurological challenges.

Furthermore, the compound's ability to cross the blood-brain barrier has made it a subject of interest in neuropharmacology research. The blood-brain barrier is a critical protective mechanism that prevents certain substances from entering the brain. However, many therapeutic agents designed to treat neurological disorders struggle to overcome this barrier. The structural properties of methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate may facilitate its penetration into the brain, thereby enhancing its potential as a treatment for conditions such as Alzheimer's disease and Parkinson's disease.

The synthesis of methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate involves multi-step organic reactions that highlight the ingenuity of modern synthetic chemistry. The process typically begins with the formation of the pyrazole ring through condensation reactions between appropriate precursors. Subsequent steps involve functional group transformations to introduce the methyl and phenyl groups at the desired positions. These synthetic strategies not only showcase the versatility of pyrazole chemistry but also provide insights into optimizing reaction conditions for high yields and purity.

Recent advancements in computational chemistry have further accelerated the discovery and optimization of novel pyrazole derivatives like methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate. Molecular modeling techniques allow researchers to predict the binding affinity and pharmacokinetic properties of compounds before they are synthesized in the lab. This approach saves time and resources by identifying promising candidates early in the drug development process. Additionally, computational methods can help in understanding how structural modifications affect biological activity, providing a rational basis for designing next-generation drugs.

The pharmaceutical industry has been particularly keen on exploring pyrazole derivatives due to their broad spectrum of biological activities. These compounds have been investigated for their potential roles in treating cancer, inflammation, and infectious diseases. Methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate, with its unique chemical profile, may contribute to this ongoing effort by serving as a lead compound for further derivatization and optimization.

In conclusion, methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate (CAS No. 10250-62) is a multifaceted compound with significant potential in pharmaceutical research and development. Its structural features make it an excellent candidate for studying structure-function relationships and developing novel therapeutic agents. As research continues to uncover new applications for pyrazole derivatives, compounds like this one will undoubtedly play a crucial role in addressing some of today's most pressing medical challenges.

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