Cas no 854405-75-7 (1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid)

1-Methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a fused cyclopenta-pyrazole core. This compound is of interest in medicinal chemistry and pharmaceutical research due to its potential as a versatile intermediate for the synthesis of biologically active molecules. The presence of both carboxylic acid and pyrazole functionalities allows for further derivatization, enabling the development of targeted compounds with enhanced binding affinity or selectivity. Its rigid bicyclic structure may contribute to improved metabolic stability in drug design applications. The compound is typically handled under standard laboratory conditions, with purity and stability being key considerations for research use.
1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid structure
854405-75-7 structure
Product Name:1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CAS No:854405-75-7
MF:C8H10N2O2
MW:166.177201747894
MDL:MFCD09901262
CID:1070499
PubChem ID:24271363
Update Time:2025-11-02

1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid
    • 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
    • 1,4,5,6-Tetrahydro-1-methyl-3-cyclopentapyrazolecarboxylic acid (ACI)
    • Cyclopentapyrazole-3-carboxylic acid, 1,4,5,6-tetrahydro-1-methyl- (4CI)
    • 1-Methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
    • SY123022
    • CS-0047143
    • DB-301425
    • F2198-8632
    • MFCD09901262
    • 854405-75-7
    • AKOS000301599
    • AS-39580
    • EN300-102444
    • SCHEMBL18984188
    • 1-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
    • ALBB-036797
    • MDL: MFCD09901262
    • Inchi: 1S/C8H10N2O2/c1-10-6-4-2-3-5(6)7(9-10)8(11)12/h2-4H2,1H3,(H,11,12)
    • InChI Key: VJHXHXGIWYIILZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C2CCCC=2N(C)N=1)O

Computed Properties

  • Exact Mass: 166.074
  • Monoisotopic Mass: 166.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 207
  • 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
  • Topological Polar Surface Area: 55.1A^2
  • XLogP3: 0.8

1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid Security Information

  • HazardClass:IRRITANT

1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid Pricemore >>

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Additional information on 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

Comprehensive Guide to 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid (CAS No. 854405-75-7)

1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid (CAS No. 854405-75-7) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This cyclopenta[c]pyrazole derivative features a unique fused ring system with a carboxylic acid functional group, making it a versatile building block for drug discovery and material science applications.

The molecular structure of this compound combines a pyrazole ring fused with a cyclopentane moiety, creating a rigid scaffold that is particularly valuable in medicinal chemistry. Researchers are increasingly interested in 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid derivatives due to their potential biological activities and their ability to serve as key intermediates in the synthesis of more complex molecules.

Recent studies have explored the use of cyclopenta[c]pyrazole carboxylic acids in the development of novel therapeutic agents. The compound's structural features make it particularly suitable for targeting specific enzyme systems, and its methyl-substituted pyrazole component contributes to enhanced metabolic stability compared to unsubstituted analogs.

In the context of current research trends, 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid synthesis has become a topic of interest for organic chemists. The compound can be prepared through various synthetic routes, including [1,3]-dipolar cycloaddition reactions or through ring-closing strategies from appropriate precursors. These synthetic methods are frequently searched in academic databases, reflecting the growing importance of this compound class.

The physicochemical properties of CAS 854405-75-7 make it particularly valuable for pharmaceutical applications. With a molecular weight of 166.17 g/mol and the presence of both hydrogen bond donor and acceptor sites, this compound exhibits favorable characteristics for drug-like molecules. Researchers often investigate 1-methyl-cyclopenta[c]pyrazole-3-carboxylic acid solubility and stability as these factors critically influence its utility in various formulations.

Beyond pharmaceutical applications, cyclopenta[c]pyrazole derivatives have shown promise in materials science. The rigid, planar structure of these compounds makes them interesting candidates for organic electronic materials, particularly when incorporated into larger conjugated systems. This dual applicability in both life sciences and materials research contributes to the compound's growing commercial importance.

Market analysts note increasing demand for 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid suppliers, particularly from contract research organizations and academic institutions. The global market for such specialized heterocyclic compounds is projected to grow steadily, driven by expanding research in targeted therapeutics and functional materials.

Quality control aspects of 854405-75-7 are frequently discussed in technical forums. Analytical methods such as HPLC, NMR, and mass spectrometry are essential for verifying the purity and identity of this compound, especially when used in sensitive applications. These analytical protocols are commonly searched by quality assurance professionals working with pyrazole carboxylic acid derivatives.

From a regulatory perspective, 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid is generally regarded as safe for research purposes when handled according to standard laboratory safety protocols. However, researchers are advised to consult specific safety data sheets for detailed handling instructions, particularly regarding cyclopenta[c]pyrazole compound storage conditions.

The future research directions for this compound class appear promising. Current investigations focus on expanding the structural diversity of 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid analogs through various derivatization strategies. These efforts aim to explore new biological activities and material properties that could lead to breakthrough applications in multiple industries.

For synthetic chemists, the challenges in working with CAS 854405-75-7 often revolve around optimizing reaction conditions to improve yields and purity. Many research papers address questions about cyclopenta[c]pyrazole-3-carboxylic acid purification methods and scale-up procedures, reflecting the practical considerations in utilizing this compound.

In conclusion, 1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid represents an important building block in modern chemical research. Its unique structural features and versatile applications continue to drive scientific interest, making it a compound of significant value across multiple disciplines. As research progresses, we can anticipate new discoveries that will further expand the utility of this interesting heterocyclic system.

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