Cas no 61514-59-8 (3-ethynyl-1-methyl-1H-pyrazole)

3-Ethynyl-1-methyl-1H-pyrazole is a heterocyclic compound featuring a pyrazole core substituted with an ethynyl group at the 3-position and a methyl group at the 1-position. This structure imparts reactivity suitable for applications in pharmaceutical and agrochemical synthesis, particularly as a versatile building block in click chemistry and cross-coupling reactions. The ethynyl group enables efficient functionalization via Sonogashira or Huisgen cycloaddition reactions, while the methyl substitution enhances stability. Its high purity and well-defined reactivity profile make it valuable for constructing complex molecular architectures in medicinal chemistry and materials science. The compound is typically handled under inert conditions to preserve its integrity.
3-ethynyl-1-methyl-1H-pyrazole structure
61514-59-8 structure
Product Name:3-ethynyl-1-methyl-1H-pyrazole
CAS No:61514-59-8
MF:C6H6N2
MW:106.125240802765
MDL:MFCD23767398
CID:476669
PubChem ID:12298391
Update Time:2025-06-14

3-ethynyl-1-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 3-ethynyl-1-methyl-
    • 3-ethynyl-1-methylpyrazole
    • 3-ethynyl-1-methyl-1H-pyrazole
    • F78154
    • MFCD23767398
    • 61514-59-8
    • AKOS015921061
    • EN300-187737
    • SCHEMBL1923035
    • CS-0237874
    • Z1343579282
    • SB10565
    • PS-17490
    • DTXSID30486015
    • DB-128350
    • STL584592
    • MDL: MFCD23767398
    • Inchi: 1S/C6H6N2/c1-3-6-4-5-8(2)7-6/h1,4-5H,2H3
    • InChI Key: GMCPKTQIHQISHX-UHFFFAOYSA-N
    • SMILES: N1(C)C=CC(C#C)=N1

Computed Properties

  • Exact Mass: 106.05318
  • Monoisotopic Mass: 106.053098200g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 122
  • 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: 0.5
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • PSA: 17.82

3-ethynyl-1-methyl-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBQ07301-250 MG
3-ethynyl-1-methyl-1H-pyrazole
61514-59-8 95%
250MG
¥ 2,574.00 2021-05-07
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBQ07301-500 MG
3-ethynyl-1-methyl-1H-pyrazole
61514-59-8 95%
500MG
¥ 3,432.00 2021-05-07
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBQ07301-1 G
3-ethynyl-1-methyl-1H-pyrazole
61514-59-8 95%
1g
¥ 4,290.00 2021-05-07
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBQ07301-5 G
3-ethynyl-1-methyl-1H-pyrazole
61514-59-8 95%
5g
¥ 12,711.00 2021-05-07
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBQ07301-10 G
3-ethynyl-1-methyl-1H-pyrazole
61514-59-8 95%
10g
¥ 18,856.00 2021-05-07
TRC
B530265-10mg
3-ethynyl-1-methyl-1{H}-pyrazole
61514-59-8
10mg
$ 70.00 2022-06-07
TRC
B530265-50mg
3-ethynyl-1-methyl-1{H}-pyrazole
61514-59-8
50mg
$ 230.00 2022-06-07
TRC
B530265-100mg
3-ethynyl-1-methyl-1{H}-pyrazole
61514-59-8
100mg
$ 340.00 2022-06-07
abcr
AB502582-100 mg
3-Ethynyl-1-methyl-1H-pyrazole; .
61514-59-8
100MG
€309.00 2022-03-01
abcr
AB502582-250 mg
3-Ethynyl-1-methyl-1H-pyrazole; .
61514-59-8
250MG
€409.30 2022-03-01

Additional information on 3-ethynyl-1-methyl-1H-pyrazole

Recent Advances in the Study of 3-Ethynyl-1-methyl-1H-pyrazole (CAS: 61514-59-8) in Chemical Biology and Pharmaceutical Research

The compound 3-ethynyl-1-methyl-1H-pyrazole (CAS: 61514-59-8) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in drug discovery and development. This heterocyclic compound, characterized by its ethynyl and methyl substituents, serves as a crucial building block in the synthesis of various biologically active molecules. Recent studies have explored its potential as a key intermediate in the development of kinase inhibitors, antimicrobial agents, and other therapeutic compounds.

One of the most notable applications of 3-ethynyl-1-methyl-1H-pyrazole is its role in click chemistry, particularly in the synthesis of triazole derivatives via copper-catalyzed azide-alkyne cycloaddition (CuAAC). This reaction has been widely utilized in the development of targeted drug delivery systems and bioconjugation strategies. A 2023 study published in the *Journal of Medicinal Chemistry* demonstrated the efficacy of this compound in the synthesis of novel EGFR inhibitors, showcasing its potential in oncology research.

In addition to its utility in click chemistry, 3-ethynyl-1-methyl-1H-pyrazole has been investigated for its antimicrobial properties. A recent study in *Bioorganic & Medicinal Chemistry Letters* highlighted its incorporation into novel pyrazole-based scaffolds, which exhibited potent activity against drug-resistant bacterial strains. The study emphasized the compound's ability to disrupt bacterial cell wall synthesis, making it a promising candidate for the development of next-generation antibiotics.

Further research has also explored the pharmacokinetic and toxicological profiles of 3-ethynyl-1-methyl-1H-pyrazole. A 2024 preclinical study reported in *European Journal of Pharmaceutical Sciences* investigated its metabolic stability and bioavailability, revealing favorable properties for further drug development. The study utilized advanced LC-MS techniques to quantify the compound's distribution in various biological matrices, providing valuable insights for future formulation strategies.

Despite these advancements, challenges remain in the large-scale synthesis and purification of 3-ethynyl-1-methyl-1H-pyrazole. Recent efforts have focused on optimizing synthetic routes to improve yield and purity, as documented in a 2023 *Organic Process Research & Development* publication. The study proposed a novel catalytic system that significantly enhanced the efficiency of the synthesis process, paving the way for industrial-scale production.

In conclusion, 3-ethynyl-1-methyl-1H-pyrazole (CAS: 61514-59-8) continues to be a compound of great interest in chemical biology and pharmaceutical research. Its diverse applications, from drug discovery to antimicrobial development, underscore its importance in the field. Future research should focus on expanding its therapeutic potential and addressing the remaining synthetic challenges to fully harness its capabilities.

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