Cas no 956950-97-3 (2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid)

2-(3-Methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid is a nitro-substituted pyrazole derivative with applications in pharmaceutical and agrochemical research. Its structure features a carboxylic acid functional group, enhancing reactivity for further derivatization, while the nitro group contributes to its potential as an intermediate in synthesis. The compound exhibits stability under standard conditions, facilitating handling and storage. Its pyrazole core is notable for biological activity, making it valuable in the development of active ingredients. The methyl substitution at the 3-position may influence steric and electronic properties, offering tunability for targeted applications. This compound is suited for use in exploratory chemistry and process optimization due to its well-defined reactivity profile.
2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid structure
956950-97-3 structure
Product Name:2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid
CAS No:956950-97-3
MF:C7H9N3O4
MW:199.164061307907
MDL:MFCD03419633
CID:3056984
PubChem ID:16394829
Update Time:2025-11-01

2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Methyl-4-nitro-pyrazol-1-yl)-propionic acid
    • VS-02344
    • AKOS000308204
    • EN300-83574
    • MFCD03419633
    • AKOS015922294
    • CS-0282632
    • 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoicacid
    • 2-(3-methyl-4-nitropyrazol-1-yl)propanoic acid
    • STK298736
    • BBL010158
    • 956950-97-3
    • 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid
    • AKOS025212235
    • 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid
    • MDL: MFCD03419633
    • Inchi: 1S/C7H9N3O4/c1-4-6(10(13)14)3-9(8-4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)
    • InChI Key: LPSAWHZCTPIRAS-UHFFFAOYSA-N
    • SMILES: OC(C(C)N1C=C(C(C)=N1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 199.05930578Da
  • Monoisotopic Mass: 199.05930578Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 252
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 101?2

2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid Pricemore >>

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Additional information on 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid

2-(3-Methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid (CAS No. 956950-97-3): An Overview of Its Properties, Applications, and Recent Research

2-(3-Methyl-4-nitro-1H-pyrazol-1-yl)propanoic Acid (CAS No. 956950-97-3) is a unique compound that has garnered significant attention in the fields of organic chemistry, medicinal chemistry, and pharmaceutical research. This compound, often referred to by its systematic name, is a derivative of pyrazole with a nitro group and a methyl group attached to the pyrazole ring, and a propanoic acid moiety. The combination of these functional groups imparts distinct chemical and biological properties that make it a valuable candidate for various applications.

The structure of 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid is characterized by its pyrazole ring, which is a five-membered heterocyclic compound with two nitrogen atoms. The presence of the nitro group at the 4-position of the pyrazole ring enhances the compound's electron-withdrawing properties, while the methyl group at the 3-position provides steric hindrance and additional stability. The propanoic acid moiety, attached to the 1-position of the pyrazole ring, introduces carboxylic acid functionality, which can participate in various chemical reactions and interactions.

In terms of its physical properties, 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid is a solid at room temperature with a melting point ranging from 180 to 185°C. It is slightly soluble in water but more soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO). The compound's solubility characteristics make it suitable for use in various experimental conditions and formulations.

The chemical reactivity of 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid is influenced by its functional groups. The carboxylic acid group can undergo esterification, amide formation, and other reactions typical of carboxylic acids. The nitro group can be reduced to an amino group under appropriate conditions, which can significantly alter the compound's properties and biological activity. Additionally, the pyrazole ring itself can participate in various substitution reactions, making this compound versatile for synthetic chemistry.

In the realm of pharmaceutical research, 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid has shown promise as a lead compound for drug discovery. Recent studies have explored its potential as an anti-inflammatory agent due to its ability to inhibit cyclooxygenase (COX) enzymes, which are key targets in the treatment of inflammatory diseases. The compound's anti-inflammatory properties have been evaluated in both in vitro and in vivo models, demonstrating significant efficacy.

Beyond its anti-inflammatory potential, 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid has also been investigated for its antiviral activity. Research has shown that it can inhibit the replication of certain viruses by interfering with viral protein synthesis or assembly processes. This makes it a potential candidate for the development of antiviral drugs against emerging viral threats.

The toxicological profile of 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid has been studied to ensure its safety for pharmaceutical applications. In vitro cytotoxicity assays have indicated that the compound exhibits low toxicity towards mammalian cells at therapeutic concentrations. However, further studies are needed to fully understand its long-term effects and potential side effects in humans.

In conclusion, 2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoic acid (CAS No. 956950-97-3) is a multifaceted compound with promising applications in pharmaceutical research. Its unique chemical structure and biological activities make it an attractive candidate for further investigation and development as a therapeutic agent. Ongoing research continues to uncover new insights into its mechanisms of action and potential therapeutic uses, contributing to advancements in drug discovery and medicinal chemistry.

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