Cas no 32493-03-1 (5-methyl-1-propyl-1H-pyrazole)

5-Methyl-1-propyl-1H-pyrazole is a heterocyclic organic compound featuring a pyrazole core substituted with a methyl group at the 5-position and a propyl group at the 1-position. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceuticals, agrochemicals, and coordination chemistry. Its pyrazole scaffold is known for stability and reactivity, enabling functionalization for tailored derivatives. The propyl substituent enhances lipophilicity, potentially improving bioavailability in drug design. The compound’s well-defined molecular framework makes it valuable for research in medicinal chemistry and material science. It is typically handled under standard laboratory conditions, with purity and consistency being critical for reproducible results.
5-methyl-1-propyl-1H-pyrazole structure
5-methyl-1-propyl-1H-pyrazole structure
Product Name:5-methyl-1-propyl-1H-pyrazole
CAS No:32493-03-1
MF:C7H12N2
MW:124.183581352234
MDL:MFCD08556253
CID:1455598
PubChem ID:21859706
Update Time:2025-11-01

5-methyl-1-propyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 5-methyl-1-propyl-1H-pyrazole
    • 1H-Pyrazole, 5-methyl-1-propyl-
    • A898322
    • ALBB-028889
    • 32493-03-1
    • CS-0217964
    • BBL040893
    • MFCD08556253
    • SCHEMBL294280
    • LS-10041
    • STK351197
    • DB-068640
    • 5-methyl-1-propyl-pyrazole
    • DTXSID001307405
    • EN300-95277
    • 5-methyl-1-propylpyrazole
    • AKOS000313624
    • MDL: MFCD08556253
    • Inchi: 1S/C7H12N2/c1-3-6-9-7(2)4-5-8-9/h4-5H,3,6H2,1-2H3
    • InChI Key: QSXMOLQKFYLQAJ-UHFFFAOYSA-N
    • SMILES: N1(C(C)=CC=N1)CCC

Computed Properties

  • Exact Mass: 124.10016
  • Monoisotopic Mass: 124.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 83
  • 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: 1.5
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • Density: 0.95±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 182.4±9.0 oC (760 Torr),
  • Flash Point: 64.1±18.7 oC,
  • Solubility: Slightly soluble (4.1 g/l) (25 o C),
  • PSA: 17.82

5-methyl-1-propyl-1H-pyrazole Pricemore >>

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Additional information on 5-methyl-1-propyl-1H-pyrazole

Professional Introduction to 5-Methyl-1-propyl-1H-pyrazole (CAS No. 32493-03-1)

5-Methyl-1-propyl-1H-pyrazole, with the chemical formula C7H10N2, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, identified by its CAS number CAS No. 32493-03-1, belongs to the pyrazole class, which is well-known for its diverse biological activities and potential applications in drug development.

The pyrazole scaffold is a five-membered aromatic ring containing two nitrogen atoms at positions 1 and 4. This structural feature imparts unique electronic and steric properties to the molecule, making it a versatile platform for medicinal chemistry. The presence of both methyl and propyl substituents in 5-methyl-1-propyl-1H-pyrazole enhances its lipophilicity and influences its interaction with biological targets.

In recent years, there has been a surge in research focused on developing novel heterocyclic compounds for therapeutic purposes. Pyrazole derivatives have been extensively studied due to their ability to modulate various biological pathways. For instance, studies have shown that pyrazole-based compounds can exhibit anti-inflammatory, antimicrobial, and anticancer properties. The structural flexibility of this class of molecules allows for the design of compounds with high specificity and efficacy.

5-Methyl-1-propyl-1H-pyrazole has been explored in several preclinical studies as a potential lead compound for drug development. Its unique chemical profile makes it an attractive candidate for further investigation into its pharmacological effects. Researchers have been particularly interested in its potential as an inhibitor of enzymes involved in cancer progression. By targeting specific enzymatic pathways, this compound may offer a novel approach to cancer therapy.

The synthesis of 5-methyl-1-propyl-1H-pyrazole involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Advanced synthetic techniques, such as catalytic hydrogenation and cross-coupling reactions, have been employed to achieve the desired product. The efficiency of these synthetic routes is crucial for large-scale production and further development of this compound.

In addition to its pharmaceutical applications, 5-methyl-1-propyl-1H-pyrazole has shown promise in agricultural research. Pyrazole derivatives are being investigated as potential agrochemicals due to their ability to interact with biological targets in pests and weeds. This property makes them valuable candidates for developing new crop protection agents that are effective yet environmentally friendly.

The pharmacokinetic properties of 5-methyl-1-propyl-1H-pyrazole are also of great interest. Studies have demonstrated that this compound exhibits good oral bioavailability and moderate metabolic stability, suggesting its potential for clinical use. Further research is needed to fully understand its absorption, distribution, metabolism, excretion (ADME) profile, which will be crucial for optimizing dosing regimens and minimizing side effects.

The safety profile of 5-methyl-1-propyl-1H-pyrazole is another critical aspect that has been addressed in recent studies. Preliminary toxicology assessments have shown that this compound is well-tolerated at moderate doses, although further long-term studies are necessary to evaluate any potential adverse effects. These safety evaluations are essential for ensuring the compound's suitability for human use and guiding future clinical trials.

The role of computational chemistry in the study of 5-methyl-1-propyl-1H-pyrazole cannot be overstated. Molecular modeling techniques have been used to predict the binding affinity of this compound to various biological targets. These predictions help researchers design more effective derivatives with improved pharmacological properties. By leveraging computational tools, scientists can accelerate the drug discovery process and reduce the time required to bring new therapies to market.

The future directions of research on 5-methyl-1-propyl-1H-pyrazole include exploring its potential in combination therapies. By pairing this compound with other drugs that target different pathways, researchers may be able to develop more comprehensive treatment strategies for complex diseases such as cancer and inflammation-related disorders. This approach holds promise for enhancing therapeutic outcomes and improving patient care.

In conclusion, 5-methyl-1-propyl-1H-pyrazole (CAS No. 32493-03-1) is a promising compound with diverse applications in pharmaceuticals and agriculture. Its unique structural features and biological activities make it an attractive candidate for further research and development. As our understanding of its properties continues to grow, so too does its potential to contribute to advancements in medicine and crop protection.

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