Cas no 32286-99-0 (1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid)

1-Methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is a heterocyclic compound featuring a tetrahydroindazole core with a carboxylic acid functional group at the 3-position and a methyl substituent at the 1-position. This structure makes it a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The saturated ring system enhances stability, while the carboxylic acid group allows for further derivatization, enabling the formation of amides, esters, and other functionalized derivatives. Its well-defined reactivity profile and compatibility with various reaction conditions make it a valuable building block for researchers exploring bioactive molecules or fine chemical synthesis. The compound is typically supplied with high purity to ensure consistent performance in synthetic applications.
1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid structure
32286-99-0 structure
Product Name:1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CAS No:32286-99-0
MF:C9H12N2O2
MW:180.203782081604
MDL:MFCD09901219
CID:1087023
PubChem ID:24271319
Update Time:2025-10-19

1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
    • 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
    • 1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid(SALTDATA: FREE)
    • DS-5226
    • 32286-99-0
    • 1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, AldrichCPR
    • DB-354543
    • SCHEMBL19659007
    • DTXSID30640599
    • CS-0042588
    • 1-METHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLICACID
    • MFCD09901219
    • STL215243
    • Y10932
    • AKOS005263880
    • EN300-248627
    • MDL: MFCD09901219
    • Inchi: 1S/C9H12N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H2,1H3,(H,12,13)
    • InChI Key: GRVDRWFCDKSVJP-UHFFFAOYSA-N
    • SMILES: OC(C1C2CCCCC=2N(C)N=1)=O

Computed Properties

  • Exact Mass: 180.089877630g/mol
  • Monoisotopic Mass: 180.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • 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: 1.3
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 378.2±42.0 °C at 760 mmHg
  • Flash Point: 182.5±27.9 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid Security Information

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Additional information on 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

Introduction to 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CAS No. 32286-99-0)

1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid, identified by its Chemical Abstracts Service (CAS) number 32286-99-0, is a significant compound in the field of pharmaceutical chemistry and medicinal research. This heterocyclic organic acid has garnered attention due to its structural properties and potential applications in drug development. The compound belongs to the tetrahydroindazole class, which is characterized by a saturated indazole ring system, making it a versatile scaffold for medicinal chemists.

The molecular structure of 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid consists of a seven-membered aromatic ring with a methyl group at the 1-position and a carboxylic acid functional group at the 3-position. The presence of the tetrahydroindazole core suggests potential bioactivity, as this motif is frequently encountered in biologically active molecules. The carboxylic acid moiety further enhances its utility as a synthetic intermediate, enabling further derivatization and functionalization.

In recent years, there has been growing interest in tetrahydroindazole derivatives due to their reported pharmacological activities. For instance, studies have highlighted the potential of such compounds in modulating various biological pathways. The carboxylic acid derivative of 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has been investigated for its role in enzyme inhibition and receptor binding interactions. These properties make it a valuable candidate for further exploration in the development of novel therapeutic agents.

One of the most compelling aspects of 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is its versatility as a building block in medicinal chemistry. The carboxylic acid group can be easily transformed into esters, amides, or other functional groups through standard organic reactions. This flexibility allows researchers to tailor the compound’s properties for specific applications. Additionally, the tetrahydroindazole core has been shown to exhibit favorable pharmacokinetic profiles in preclinical studies, which is crucial for drug development.

Recent advancements in computational chemistry have further enhanced the understanding of 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid’s interactions with biological targets. Molecular docking studies have revealed that this compound can bind effectively to certain enzymes and receptors involved in inflammatory and metabolic diseases. These findings have prompted further investigation into its potential as an anti-inflammatory or metabolic modulator. The compound’s ability to interact with these targets suggests that it may have therapeutic benefits in managing related conditions.

The synthesis of 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has also been refined through modern synthetic methodologies. Researchers have developed efficient multi-step routes that optimize yield and purity while minimizing hazardous byproducts. These improvements have made the compound more accessible for large-scale production and research purposes. The availability of high-quality starting materials is essential for advancing pharmaceutical research and development.

In conclusion,1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CAS No. 32286-99-0) represents a promising compound with significant potential in pharmaceutical applications. Its unique structural features and reported bioactivity make it an attractive scaffold for drug discovery efforts. As research continues to uncover new therapeutic targets and synthetic strategies,1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is likely to play an increasingly important role in the development of next-generation therapeutics.

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