Cas no 344912-39-6 ((5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid)

(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic acid is a nitro-substituted pyrazole derivative with a carboxylic acid functional group, making it a versatile intermediate in organic synthesis and pharmaceutical applications. Its structure combines a reactive nitro group with an acetic acid moiety, enabling further derivatization for the development of heterocyclic compounds. The compound exhibits potential as a building block for agrochemicals, medicinal chemistry, and coordination chemistry due to its chelating properties. Its stability under standard conditions and well-defined reactivity profile make it suitable for controlled synthetic transformations. The presence of both electron-withdrawing (nitro) and electron-donating (methyl) groups on the pyrazole ring offers tunable electronic properties for tailored applications.
(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid structure
344912-39-6 structure
Product Name:(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid
CAS No:344912-39-6
MF:C6H7N3O4
MW:185.137480974197
MDL:MFCD00297226
CID:852873
Update Time:2026-04-29

(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
    • (5-Methyl-3-nitro-pyrazol-1-yl)-acetic acid
    • 1H-Pyrazole-1-acetic acid, 5-methyl-3-nitro-
    • 2-(5-methyl-3-nitropyrazol-1-yl)acetic acid
    • Ethyl 5-hydroxymethyl-3-methylisoxazole-4-carboxylate
    • 006213
    • 2-(5-methyl-3-nitropyrazolyl)acetic acid
    • AC1LNYPN
    • CTK4H2492
    • MolPort-000-707-487
    • Oprea1_027491
    • STOCK2S-52650
    • SureCN2760500
    • ZERO
    • (5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid
    • MDL: MFCD00297226
    • Inchi: InChI=1S/C6H7N3O4/c1-4-2-5(9(12)13)7-8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
    • InChI Key: LBYOSHLKRWXEKE-UHFFFAOYSA-N
    • SMILES: CC1=CC(=NN1CC(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 185.04400
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3

Experimental Properties

  • PSA: 100.94000
  • LogP: 0.70750

(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on (5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid

(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic Acid and Its Significance in Modern Chemical Biology

(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic acid (CAS No. 344912-39-6) is a versatile heterocyclic compound that has garnered significant attention in the field of chemical biology due to its unique structural properties and potential biological activities. This compound, featuring a nitro-substituted pyrazole core, has emerged as a valuable scaffold for the development of novel therapeutic agents. The presence of both a methyl group and a nitro group on the pyrazole ring contributes to its reactivity and functionality, making it an attractive candidate for further investigation.

The< strong>pyrazole moiety is a six-membered aromatic ring containing two nitrogen atoms, which is known for its broad spectrum of biological activities. Pyrazole derivatives have been extensively studied for their applications in pharmaceuticals, agrochemicals, and materials science. The introduction of functional groups such as< strong>nitro and< strong>methyl groups can significantly alter the pharmacological properties of these compounds, leading to enhanced binding affinity and specificity towards biological targets.

In recent years, there has been a surge in research focused on developing new derivatives of< strong>pyrazole for medicinal applications. The< strong>nitro group in particular plays a crucial role in modulating the electronic properties of the molecule, which can influence its interactions with biological targets. This has led to the discovery of several< strong>pyrazole -based compounds with promising pharmacological profiles, including anti-inflammatory, anticancer, and antimicrobial activities.

(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic acid is particularly interesting due to its ability to serve as a precursor for more complex derivatives. The acetic acid moiety provides a site for further functionalization, allowing chemists to tailor the compound's properties for specific applications. For instance, it can be used to synthesize esters or amides, which can enhance solubility or improve bioavailability.

The< strong>methyl group on the pyrazole ring also contributes to the compound's reactivity and stability. This group can participate in various chemical reactions, including nucleophilic substitution and electrophilic aromatic substitution, making it a valuable handle for further derivatization. Additionally, the< strong>methyl group can influence the electronic distribution of the ring, thereby affecting its interaction with biological targets.

Recent studies have highlighted the potential of< strong>(5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic acid in drug discovery. Researchers have demonstrated its utility in developing novel inhibitors targeting enzymes involved in cancer progression. The nitro group on the pyrazole ring has been shown to enhance binding affinity towards these enzymes by forming hydrogen bonds or participating in electrostatic interactions. This has led to the identification of several lead compounds that show promise in preclinical studies.

The compound's structural features also make it an attractive candidate for material science applications. Pyrazole derivatives have been explored for their potential use in organic electronics, such as light-emitting diodes (LEDs) and photovoltaic cells. The presence of conjugated systems and electron-withdrawing groups like the nitro group can influence the optoelectronic properties of these materials, making them suitable for various technological applications.

In conclusion, (5-Methyl-3-nitro-1H-pyrazol-1-yl)acetic acid (CAS No. 344912-39-6) is a multifunctional compound with significant potential in both pharmaceutical and material science applications. Its unique structural features and reactivity make it an invaluable scaffold for developing novel therapeutic agents and advanced materials. Further research is warranted to fully explore its capabilities and applications in various fields.

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