Cas no 1053656-33-9 (Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate)

Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate is a heterocyclic compound featuring a pyrazolo[3,4-c]pyridine core with an ester functional group at the 3-position. This structure confers versatility in medicinal and pharmaceutical chemistry, serving as a valuable intermediate for the synthesis of biologically active molecules. Its fused bicyclic system enhances stability while offering sites for further functionalization, making it useful in the development of kinase inhibitors, antiviral agents, and other therapeutic candidates. The ethyl ester moiety improves solubility and facilitates downstream modifications. High purity and well-defined reactivity ensure consistent performance in synthetic applications. This compound is particularly relevant in drug discovery and fine chemical synthesis.
Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate structure
1053656-33-9 structure
Product Name:Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS No:1053656-33-9
MF:C9H9N3O2
MW:191.186661481857
MDL:MFCD10566315
CID:97869
PubChem ID:52987610
Update Time:2025-06-15

Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate
    • 1H-Pyrazolo[3,4-c]pyridine-3-carboxylicacid, ethyl ester
    • AG-D-18756
    • ANW-69426
    • CTK4A3776
    • MolPort-009-197-842
    • PubChem23168
    • RP25093
    • WTI-11432
    • Ethyl 1H-pyrazolo[3,4-c]pyridin-3-carboxylate
    • J-520541
    • DTXSID60680908
    • A847140
    • FT-0645715
    • CS-0049554
    • AKOS006303125
    • MFCD10566315
    • EN300-138311
    • SCHEMBL14166061
    • P10919
    • PB39481
    • 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, ethyl ester
    • 1053656-33-9
    • 2-(TERT-BUTYLAMINO)SULFONYLPHENYLBORONICACID
    • AS-50704
    • AM20120449
    • SY097698
    • 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
    • DB-059350
    • Ethyl1H-pyrazolo[3,4-c]pyridine-3-carboxylate
    • MDL: MFCD10566315
    • Inchi: 1S/C9H9N3O2/c1-2-14-9(13)8-6-3-4-10-5-7(6)11-12-8/h3-5H,2H2,1H3,(H,11,12)
    • InChI Key: DEBPRNDMJGKCBA-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C2C=CN=CC=2NN=1)=O

Computed Properties

  • Exact Mass: 191.06900
  • Monoisotopic Mass: 191.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 222
  • 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: 67.9A^2
  • XLogP3: 1

Experimental Properties

  • Density: 1.339
  • Boiling Point: 385.9 °C at 760 mmHg
  • Flash Point: 187.2 °C
  • PSA: 67.87000
  • LogP: 1.13460

Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate Related Literature

Additional information on Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate

Comprehensive Overview of Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate (CAS No. 1053656-33-9)

Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate (CAS No. 1053656-33-9) is a heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This pyrazolo[3,4-c]pyridine derivative is characterized by its ethyl ester functional group, which enhances its reactivity and solubility, making it a versatile intermediate in organic synthesis. Researchers and industries are increasingly exploring its potential applications in drug discovery, particularly in the development of kinase inhibitors and anti-inflammatory agents.

The compound's molecular framework, featuring a fused pyrazole and pyridine ring system, contributes to its ability to interact with biological targets selectively. Recent studies highlight its role in modulating enzymatic activity, which aligns with the growing demand for small-molecule therapeutics in precision medicine. As the pharmaceutical industry shifts toward personalized treatments, Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate is being investigated for its potential in targeting specific pathways associated with chronic diseases.

In addition to its pharmaceutical relevance, this compound is also a subject of interest in material science. Its conjugated system and electron-rich heterocycles make it a candidate for developing organic semiconductors and light-emitting diodes (OLEDs). With the rise of sustainable technologies, researchers are examining its photophysical properties to optimize energy-efficient devices, addressing global concerns about green chemistry and renewable energy.

Synthetic routes to Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate often involve multi-step reactions, including cyclization and esterification. Optimizing these processes is a key focus for chemists, as efficiency and yield are critical for scaling up production. The compound's CAS No. 1053656-33-9 serves as a unique identifier in chemical databases, facilitating patent searches and regulatory compliance—a priority for manufacturers navigating intellectual property landscapes.

From a commercial perspective, the demand for high-purity intermediates like this compound is driven by the expanding biotech and pharma sectors. Suppliers emphasize rigorous quality control, as impurities can significantly impact downstream applications. Analytical techniques such as HPLC and NMR are routinely employed to verify its structural integrity, ensuring compliance with industry standards like GMP.

Looking ahead, the versatility of Ethyl 1H-pyrazolo[3,4-c]pyridine-3-carboxylate positions it as a valuable asset in interdisciplinary research. Whether in drug formulation or advanced materials, its applications resonate with contemporary scientific trends, including AI-driven drug design and sustainable manufacturing. As innovation accelerates, this compound is poised to play a pivotal role in addressing complex challenges across multiple domains.

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