Cas no 139755-99-0 (1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid)

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid is a heterocyclic carboxylic acid derivative with a pyrazole core structure. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in synthetic chemistry. The presence of both methyl and propyl substituents enhances its lipophilicity, while the carboxylic acid moiety allows for further functionalization, making it suitable for derivatization into active ingredients or ligands. Its well-defined structure and stability under standard conditions facilitate its use in controlled reactions. The compound is typically characterized by high purity and consistent performance, ensuring reliability in research and industrial applications.
1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid structure
139755-99-0 structure
Product Name:1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid
CAS No:139755-99-0
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD02169703
CID:64610
PubChem ID:587797
Update Time:2025-06-15

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid
    • 1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID
    • 1-Methyl-3-propyl-1H
    • 1-Methyl-3-Propyl-5-Pyrazole Carboxylic Acid
    • 2-Methyl-5-propyl-2H-pyrazole-3-carboxylic acid
    • 1H-Pyrazole-5-carboxylicacid, 1-methyl-3-propyl-
    • 1-Methyl-3-n-propylpyrazole-5-carboxylic acid
    • 1-Methyl-3-propyl-1H-5-pyrazole carboxylic acid
    • AC1LBRLB
    • ACMC-1C0QT
    • SureCN727
    • 2-methyl-5-propylpyrazole-3-carboxylic acid
    • KOABFSONXOOIIH-UHFFFAOYSA-N
    • 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-
    • BAS 02107705
    • ChemDiv2_002308
    • Jsp002374
    • DT
    • BCP18688
    • 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid #
    • EU-0085829
    • FT-0643314
    • SCHEMBL727
    • 1-Methyl-3-propyl-1H-pyrazole-5-carboxylicacid
    • AM807207
    • SB33319
    • AC-26376
    • SR-01000530147-1
    • J-504931
    • AKOS000300177
    • HMS1375I20
    • 139755-99-0
    • N12123
    • EN300-125557
    • MFCD02169703
    • CS-0006634
    • DTXSID10343157
    • MS-2208
    • SR-01000530147
    • 1-methyl-3-propylpyrazole-5-carboxylic acid, AldrichCPR
    • Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-
    • DTXCID70294237
    • DB-032328
    • BBL029602
    • DB-301482
    • STK662684
    • MDL: MFCD02169703
    • Inchi: 1S/C8H12N2O2/c1-3-4-6-5-7(8(11)12)10(2)9-6/h5H,3-4H2,1-2H3,(H,11,12)
    • InChI Key: KOABFSONXOOIIH-UHFFFAOYSA-N
    • SMILES: OC(C1=CC(CCC)=NN1C)=O

Computed Properties

  • Exact Mass: 167.08213
  • Monoisotopic Mass: 167.082053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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: 55.1
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 145-147℃
  • Boiling Point: 330.3°C at 760 mmHg
  • Flash Point: 153.5±24.6 °C
  • PSA: 57.95
  • LogP: 1.07080
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid Security Information

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid Pricemore >>

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Additional information on 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid

Comprehensive Overview of 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS No. 139755-99-0)

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS No. 139755-99-0) is a specialized organic compound belonging to the pyrazole carboxylic acid family. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties and potential applications. The pyrazole core, a five-membered heterocyclic ring containing two nitrogen atoms, is a key scaffold in medicinal chemistry, often associated with bioactive molecules. The presence of both methyl and propyl substituents, along with the carboxylic acid functional group, enhances its versatility in synthetic pathways.

In recent years, the demand for heterocyclic compounds like 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid has surged, driven by their role in drug discovery and material science. Researchers are particularly interested in its potential as a building block for small molecule inhibitors and biodegradable polymers. The compound’s CAS No. 139755-99-0 is frequently searched in academic databases and chemical supplier catalogs, reflecting its growing relevance in industrial and academic settings.

One of the trending topics in organic chemistry is the development of sustainable synthesis methods. 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid can be synthesized via eco-friendly routes, such as catalytic cyclization or microwave-assisted reactions, aligning with the global push for green chemistry. This approach reduces waste and energy consumption, making it a focal point for environmentally conscious researchers.

The compound’s solubility and stability profiles are also critical for its applications. Studies indicate that its carboxylic acid group facilitates hydrogen bonding, improving its compatibility with polar solvents. This property is advantageous for formulating pharmaceutical intermediates or crop protection agents, where solubility dictates efficacy.

Another area of interest is the compound’s potential in neurological research. Pyrazole derivatives are known to interact with neurotransmitter receptors, and 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid could serve as a precursor for novel central nervous system (CNS) therapeutics. This aligns with the increasing focus on neurodegenerative diseases and mental health disorders in modern healthcare.

From a commercial perspective, suppliers and manufacturers of 139755-99-0 emphasize its high purity (>98%) and consistent quality, ensuring reproducibility in research and industrial applications. The compound’s molecular weight (168.19 g/mol) and melting point data are frequently referenced in technical datasheets, catering to analytical chemists and formulators.

In summary, 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS No. 139755-99-0) is a multifaceted compound with promising applications in drug development, agrochemicals, and material science. Its structural features, combined with evolving synthetic methodologies, position it as a valuable asset in contemporary chemical research. As interest in heterocyclic chemistry and sustainable synthesis grows, this compound is poised to remain a topic of scientific and industrial relevance.

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