Cas no 1171348-04-1 (3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile)

3-(4-Chloro-1H-pyrazol-1-yl)pentanenitrile is a versatile chemical intermediate featuring a pyrazole core functionalized with a chloro substituent and a nitrile-terminated alkyl chain. Its molecular structure offers reactivity at multiple sites, making it valuable for synthesizing heterocyclic compounds, agrochemicals, and pharmaceuticals. The chloro group enhances electrophilic substitution potential, while the nitrile moiety provides a handle for further derivatization, such as hydrolysis or reduction. This compound is particularly useful in medicinal chemistry for constructing biologically active scaffolds. Its stability under standard conditions ensures ease of handling in synthetic applications. The balanced lipophilicity of the pentanenitrile chain may also contribute to favorable pharmacokinetic properties in drug development.
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile structure
1171348-04-1 structure
Product Name:3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
CAS No:1171348-04-1
MF:C8H10ClN3
MW:183.638100147247
MDL:MFCD09468172
CID:3158745
PubChem ID:25247442
Update Time:2025-06-25

3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
    • 3-(4-chloropyrazol-1-yl)pentanenitrile
    • STK351606
    • 1171348-04-1
    • AKOS005167497
    • EN300-231258
    • MDL: MFCD09468172
    • Inchi: 1S/C8H10ClN3/c1-2-8(3-4-10)12-6-7(9)5-11-12/h5-6,8H,2-3H2,1H3
    • InChI Key: DGDXVLPJSVNLHG-UHFFFAOYSA-N
    • SMILES: ClC1C=NN(C=1)C(CC#N)CC

Computed Properties

  • Exact Mass: 183.0563250Da
  • Monoisotopic Mass: 183.0563250Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 186
  • 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: 1.4
  • Topological Polar Surface Area: 41.6?2

3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-231258-1g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
1g
$470.0 2023-09-15
Enamine
EN300-231258-5g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
5g
$1364.0 2023-09-15
Enamine
EN300-231258-10g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
10g
$2024.0 2023-09-15
Enamine
EN300-231258-0.05g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
0.05g
$88.0 2024-06-20
Enamine
EN300-231258-0.1g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
0.1g
$132.0 2024-06-20
Enamine
EN300-231258-0.25g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
0.25g
$188.0 2024-06-20
Enamine
EN300-231258-0.5g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
0.5g
$353.0 2024-06-20
Enamine
EN300-231258-1.0g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
1.0g
$470.0 2024-06-20
Enamine
EN300-231258-2.5g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
2.5g
$923.0 2024-06-20
Enamine
EN300-231258-5.0g
3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile
1171348-04-1 95%
5.0g
$1364.0 2024-06-20

3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile Related Literature

Additional information on 3-(4-chloro-1H-pyrazol-1-yl)pentanenitrile

3-(4-Chloro-1H-Pyrazol-1-yl)Pentanenitrile: A Comprehensive Overview

3-(4-Chloro-1H-Pyrazol-1-yl)Pentanenitrile (CAS No: 1171348-04-1) is a versatile organic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound is characterized by its unique structure, which combines a pyrazole ring with a nitrile group, making it an attractive candidate for further research and development.

The pyrazole ring in 3-(4-Chloro-1H-Pyrazol-1-yl)Pentanenitrile is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of the chlorine substituent at the 4-position of the pyrazole ring imparts additional electronic and steric effects, which can influence the compound's reactivity and biological activity. The nitrile group, on the other hand, is a strong electron-withdrawing group that can enhance the compound's stability and reactivity in various chemical reactions.

Recent studies have highlighted the potential of 3-(4-Chloro-1H-Pyrazol-1-yl)Pentanenitrile as a precursor for synthesizing bioactive molecules. For instance, researchers have explored its use in the development of novel antifungal agents, where the pyrazole ring plays a crucial role in targeting fungal enzymes such as cytochrome P450 lanosterol demethylase (CYP51). The nitrile group has also been utilized in click chemistry reactions to create complex molecular architectures with potential therapeutic applications.

In addition to its biological applications, 3-(4-Chloro-1H-Pyrazol-1-yl)Pentanenitrile has shown promise in materials science. Its ability to form stable coordination complexes with transition metals has led to its investigation as a ligand in catalytic systems. Recent findings suggest that it can enhance the catalytic activity of certain palladium catalysts in cross-coupling reactions, which are widely used in organic synthesis.

The synthesis of 3-(4-Chloro-1H-Pyrazol-1-yl)Pentanenitrile typically involves multi-step processes that combine nucleophilic substitution and condensation reactions. Researchers have optimized these processes to improve yield and purity, making the compound more accessible for large-scale production and further studies.

From an environmental perspective, 3-(4-Chloro-1H-Pyrazol-1-yl)Pentanenitrile has been evaluated for its biodegradability and ecotoxicity. Studies indicate that it undergoes rapid degradation under aerobic conditions, reducing its potential impact on aquatic ecosystems. However, further research is needed to fully understand its environmental fate and toxicity profile.

In conclusion, 3-(4-Chloro-1H-Pyrazol-1-yli Pentanenitrile (CAS No: 1171348-04-) is a multifaceted compound with diverse applications across various scientific disciplines. Its unique structure, combined with recent advancements in synthetic methodologies and biological applications, positions it as a valuable tool for future research and innovation.

Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm