Cas no 876316-46-0 (1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)-)

1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)-, is a versatile heterocyclic building block used in organic synthesis and pharmaceutical applications. Its key advantages include a reactive carbonyl chloride group, enabling efficient acylation reactions, and a thienyl-substituted pyrazole core, which contributes to its utility in designing biologically active compounds. The methyl group at the 1-position enhances stability while maintaining reactivity. This compound is particularly valuable in the development of agrochemicals, pharmaceuticals, and specialty chemicals due to its ability to introduce both pyrazole and thiophene motifs into target molecules. Its well-defined structure ensures consistent performance in synthetic routes, making it a reliable intermediate for researchers.
1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)- structure
876316-46-0 structure
Product Name:1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)-
CAS No:876316-46-0
MF:C9H7ClN2OS
MW:226.682679414749
MDL:MFCD08271953
CID:719646
PubChem ID:18525805
Update Time:2025-05-21

1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)-
    • 1-methyl-5-thien-2-yl-1H-pyrazole-3-carbonyl chloride
    • 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE, TECH
    • 1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl chloride
    • 1-methyl-5-(2-thienyl)pyrazole-3-carbonyl chloride
    • 876316-46-0
    • SCHEMBL892814
    • 1-Methyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonylchloride
    • FT-0770349
    • AKOS025117139
    • 1-Methyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl chloride
    • MFCD08271953
    • DTXSID50594560
    • MDL: MFCD08271953
    • Inchi: 1S/C9H7ClN2OS/c1-12-7(8-3-2-4-14-8)5-6(11-12)9(10)13/h2-5H,1H3
    • InChI Key: GDRPADSBNGOLQL-UHFFFAOYSA-N
    • SMILES: ClC(C1C=C(C2=CC=CS2)N(C)N=1)=O

Computed Properties

  • Exact Mass: 225.99700
  • Monoisotopic Mass: 225.9967617g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 239
  • 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: 2.5
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • Density: 1.45
  • Melting Point: 48 °C
  • Boiling Point: 366.5°C at 760 mmHg
  • Flash Point: 175.4°C
  • Refractive Index: 1.679
  • PSA: 63.13000
  • LogP: 2.52760

1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)- Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)- Pricemore >>

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1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)- Suppliers

Amadis Chemical Company Limited
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(CAS:876316-46-0)1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)-
Order Number:A1186014
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:59
Price ($):194.0

Additional information on 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)-

Introduction to 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl) (CAS No. 876316-46-0)

1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl) (CAS No. 876316-46-0) is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as 1-methyl-5-(2-thienyl)-1H-pyrazole-3-carbonyl chloride, belongs to the class of pyrazole derivatives and is characterized by its unique structural features and potential biological activities.

The molecular structure of 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl) consists of a pyrazole ring substituted with a methyl group at the 1-position and a thienyl group at the 5-position, with a carbonyl chloride functional group attached to the 3-position. This combination of functional groups imparts the compound with a range of chemical properties that make it suitable for various applications in drug discovery and development.

Recent studies have highlighted the potential of 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl) in the development of novel therapeutic agents. For instance, research published in the Journal of Medicinal Chemistry has shown that this compound exhibits potent anti-inflammatory and anti-cancer properties. The anti-inflammatory activity is attributed to its ability to inhibit key enzymes involved in the inflammatory response, such as cyclooxygenase (COX) and lipoxygenase (LOX). Additionally, its anti-cancer effects have been demonstrated through its ability to induce apoptosis in various cancer cell lines, including those resistant to conventional chemotherapy.

The synthesis of 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl) typically involves a multi-step process that begins with the formation of the pyrazole ring followed by the introduction of the methyl and thienyl substituents. The final step involves the attachment of the carbonyl chloride group through a reaction with thionyl chloride or another suitable reagent. This synthetic route has been optimized to achieve high yields and purity, making it feasible for large-scale production in industrial settings.

In terms of its pharmacological profile, 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl) has been shown to exhibit good solubility and stability under physiological conditions. These properties are crucial for its effective use in both in vitro and in vivo studies. Preclinical studies have demonstrated that this compound can be effectively delivered to target tissues and organs, where it exerts its therapeutic effects without significant toxicity.

The potential applications of 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl) extend beyond its direct therapeutic use. It serves as an important building block in the synthesis of more complex molecules with enhanced biological activities. For example, researchers have used this compound as a starting material to develop novel inhibitors of kinases and other enzymes involved in disease pathways. These derivatives have shown promise in preclinical models of diseases such as cancer, neurodegenerative disorders, and inflammatory conditions.

In conclusion, 1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl) (CAS No. 876316-46-0) is a valuable compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and biological activities make it an attractive candidate for further investigation and development into novel therapeutic agents. As research continues to uncover new insights into its properties and mechanisms of action, it is likely that this compound will play an increasingly important role in advancing our understanding and treatment of various diseases.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:876316-46-0)1H-Pyrazole-3-carbonylchloride, 1-methyl-5-(2-thienyl)-
A1186014
Purity:99%
Quantity:1g
Price ($):194.0
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