Cas no 1006950-51-1 (2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol)

2-(5-Methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol is a nitro-substituted pyrazole derivative with a hydroxymethyl functional group, offering versatility in synthetic chemistry applications. Its structure combines a nitro group at the 3-position and a methyl group at the 5-position of the pyrazole ring, enhancing reactivity for further functionalization. The hydroxymethyl side chain improves solubility in polar solvents, facilitating its use in nucleophilic substitution or condensation reactions. This compound is particularly valuable as an intermediate in pharmaceuticals, agrochemicals, and materials science due to its balanced reactivity and stability. Its well-defined molecular framework allows for precise modifications, making it a useful building block in heterocyclic chemistry.
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol structure
1006950-51-1 structure
Product Name:2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol
CAS No:1006950-51-1
MF:C6H9N3O3
MW:171.153960943222
MDL:MFCD06804921
CID:2139777
PubChem ID:19616556
Update Time:2025-05-23

2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethanol
    • AKOS B024003
    • ART-CHEM-BB B024003
    • 2-(5-METHYL-3-NITRO-PYRAZOL-1-YL)-ETHANOL
    • 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol
    • 2-(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)-1-ETHANOL
    • EN300-230193
    • BBL040256
    • AKOS015922085
    • SCHEMBL2428998
    • STK350075
    • DB-301899
    • FS-6283
    • SFOZXZKTONHBQJ-UHFFFAOYSA-N
    • CS-0280741
    • MFCD06804921
    • 2-(5-Methyl-3-nitro-pyrazol-1-yl)ethanol
    • AKOS000308752
    • 2-(5-Methyl-3-nitropyrazol-1-yl)ethanol
    • 1006950-51-1
    • MDL: MFCD06804921
    • Inchi: 1S/C6H9N3O3/c1-5-4-6(9(11)12)7-8(5)2-3-10/h4,10H,2-3H2,1H3
    • InChI Key: SFOZXZKTONHBQJ-UHFFFAOYSA-N
    • SMILES: OCCN1C(C)=CC([N+](=O)[O-])=N1

Computed Properties

  • Exact Mass: 171.06439116Da
  • Monoisotopic Mass: 171.06439116Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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
  • Topological Polar Surface Area: 83.9?2

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Additional information on 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol

2-(5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Ethan-1-Ol (CAS No. 1006950-51-1): A Comprehensive Overview

The compound 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol (CAS No. 1006950-51-1) is a fascinating organic molecule with significant potential in various fields of chemistry and materials science. This compound belongs to the class of pyrazole derivatives, which are known for their unique electronic properties and versatile applications. The structure of this molecule consists of a pyrazole ring substituted with a methyl group at position 5, a nitro group at position 3, and an ethanolic hydroxyl group attached to the nitrogen atom at position 1. These functional groups contribute to its reactivity, stability, and potential for further chemical modifications.

Recent studies have highlighted the importance of pyrazole derivatives in drug discovery and development. The pyrazole ring system is a heterocyclic structure that exhibits significant biological activity, making it a valuable scaffold for designing new pharmaceutical agents. The presence of the nitro group in this compound introduces electron-withdrawing effects, which can enhance the molecule's ability to interact with biological targets such as enzymes or receptors. Additionally, the methyl group at position 5 provides steric bulk, which can influence the molecule's conformation and bioavailability.

The synthesis of 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-ol involves a multi-step process that typically begins with the preparation of the pyrazole ring. This is often achieved through condensation reactions involving carbonyl compounds and ammonia or its derivatives. The introduction of substituents such as the nitro and methyl groups requires careful control of reaction conditions to ensure regioselectivity and yield optimization. The final step involves the attachment of the ethanolic hydroxyl group, which can be achieved through nucleophilic substitution or other suitable methodologies.

In terms of applications, this compound has shown promise in several areas. In materials science, pyrazole derivatives are being explored as components in advanced materials such as conductive polymers and organic semiconductors. The nitro group contributes to the molecule's electron-deficient nature, which can be advantageous in electron transport applications. Furthermore, the ethanolic hydroxyl group provides opportunities for hydrogen bonding, making this compound a potential candidate for supramolecular chemistry and self-assembling systems.

Recent research has also focused on the biological properties of this compound. Studies have demonstrated that 2-(5-methyl-3-nitro-1H-pyrazol-1-y l)ethan - 1 - ol exhibits significant antioxidant activity, which could be beneficial in combating oxidative stress-related diseases such as neurodegenerative disorders and cardiovascular diseases. Additionally, preliminary experiments suggest that this compound may possess anti-inflammatory properties, making it a potential lead molecule for anti-inflammatory drug development.

The toxicity profile of this compound is another critical aspect that has been investigated recently. Studies indicate that 2-(5-methyl -3-nitro - 1 H - pyrazol - 1 - yl )ethan - 1 - ol exhibits low cytotoxicity against normal human cells while showing selective toxicity towards cancer cells. This selectivity makes it an attractive candidate for further exploration in oncology research.

In conclusion, 2-(5-methyl -3-nitro - 1 H - pyrazol - 1 - yl )ethan - 1 - ol (CAS No. 1006950 -51 - 1) is a versatile compound with diverse applications across multiple disciplines. Its unique structure, combined with its promising biological and electronic properties, positions it as a valuable tool in both academic research and industrial applications. As research continues to uncover new insights into its properties and potential uses, this compound is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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