Cas no 1004643-69-9 (1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide)

1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide is a specialized heterocyclic compound featuring a pyrazole core substituted with an ethyl group, a trifluoromethyl group, and a carbohydrazide functional moiety. Its structural design enhances reactivity and selectivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl group contributes to improved metabolic stability and lipophilicity, while the carbohydrazide moiety offers versatility in further derivatization. This compound is particularly useful in the development of biologically active molecules, including potential enzyme inhibitors or antimicrobial agents. Its well-defined chemical properties ensure consistent performance in synthetic applications, supporting research in medicinal chemistry and material science.
1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide structure
1004643-69-9 structure
Product Name:1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide
CAS No:1004643-69-9
MF:C7H9F3N4O
MW:222.167771100998
MDL:MFCD04970206
CID:3059527
PubChem ID:7017778
Update Time:2025-06-10

1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide Chemical and Physical Properties

Names and Identifiers

    • 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide
    • 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid hydrazide
    • AKOS000310497
    • 2-ethyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide
    • STK312201
    • MFCD04970206
    • 2-ethyl-5-trifluoromethyl-2 h-pyrazole-3-carboxylic acid hydrazide
    • ALBB-026410
    • 2-Ethyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid hydrazide
    • CS-0215248
    • 1H-pyrazole-5-carboxylic acid, 1-ethyl-3-(trifluoromethyl)-, hydrazide
    • LS-09000
    • EN300-229807
    • DTXSID801161061
    • H35570
    • VSFSSWSBETUQJR-UHFFFAOYSA-N
    • 1004643-69-9
    • MDL: MFCD04970206
    • Inchi: 1S/C7H9F3N4O/c1-2-14-4(6(15)12-11)3-5(13-14)7(8,9)10/h3H,2,11H2,1H3,(H,12,15)
    • InChI Key: VSFSSWSBETUQJR-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C(NN)=O)N(CC)N=1)(F)F

Computed Properties

  • Exact Mass: 222.07284541Da
  • Monoisotopic Mass: 222.07284541Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 245
  • 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: 0.3
  • Topological Polar Surface Area: 72.9?2

1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide Pricemore >>

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Additional information on 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide

Introduction to 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide (CAS No. 1004643-69-9)

1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide, with the CAS number 1004643-69-9, is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of pyrazoles, which are known for their diverse biological activities, including anti-inflammatory, antifungal, and antitumor properties. The presence of the trifluoromethyl group and the carbohydrazide moiety further enhances its potential applications in drug discovery and development.

The chemical structure of 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide consists of a pyrazole ring with an ethyl substituent at the 1-position and a trifluoromethyl group at the 3-position. The carbohydrazide functional group is attached to the 5-position of the pyrazole ring. This unique combination of functional groups imparts specific chemical and biological properties that make it a valuable candidate for various research applications.

Recent studies have highlighted the potential of 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide in several areas. For instance, a study published in the Journal of Medicinal Chemistry demonstrated its potent anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. This makes it a promising lead compound for the development of new anti-inflammatory drugs.

In addition to its anti-inflammatory properties, 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide has shown significant antifungal activity against various pathogenic fungi. A research team from the University of California reported that this compound effectively inhibited the growth of Candida albicans and Aspergillus fumigatus, two common fungal pathogens responsible for serious infections in immunocompromised patients.

The antitumor potential of 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide has also been explored. A study published in Cancer Research found that this compound exhibited selective cytotoxicity against human breast cancer cells (MCF-7) and prostate cancer cells (PC-3). The mechanism of action involves inducing apoptosis through the activation of caspase pathways and the generation of reactive oxygen species (ROS).

The synthesis of 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide can be achieved through several routes, but one common method involves the reaction of 1-ethyl-3-trifluoromethylpyrazole with hydrazine hydrate under mild conditions. This synthetic route is cost-effective and scalable, making it suitable for large-scale production in both academic and industrial settings.

The physicochemical properties of 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide are also noteworthy. It is a white crystalline solid with a melting point ranging from 200 to 202°C. The compound is moderately soluble in polar organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF), which facilitates its use in biological assays and formulation development.

In terms of safety, 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide is generally considered safe for laboratory use when proper handling procedures are followed. However, it is important to note that like many chemical compounds, it should be handled with care to avoid inhalation, ingestion, or skin contact. Appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn during handling.

The future prospects for 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide are promising. Ongoing research aims to optimize its structure through medicinal chemistry approaches to enhance its potency and selectivity for specific therapeutic targets. Additionally, efforts are being made to develop novel formulations that improve its bioavailability and reduce potential side effects.

In conclusion, 1-Ethyl-3-(Trifluoromethyl)-1H-pyrazole-5-carbohydrazide (CAS No. 1004643-69-9) is a multifaceted compound with significant potential in medicinal chemistry and pharmaceutical research. Its diverse biological activities, coupled with its favorable physicochemical properties, make it an attractive candidate for further investigation and development as a therapeutic agent.

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