Cas no 1156067-60-5 (4-(1H-Pyrazol-1-yl)butan-1-ol)

4-(1H-Pyrazol-1-yl)butan-1-ol is a versatile heterocyclic compound featuring a pyrazole moiety linked to a butanol chain. This structure imparts unique reactivity, making it valuable as an intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The hydroxyl group enhances solubility and facilitates further functionalization, while the pyrazole ring offers potential for coordination chemistry and biological activity. Its balanced polarity and stability under mild conditions make it suitable for diverse applications, including ligand design and medicinal chemistry. The compound’s well-defined synthetic pathway ensures high purity and reproducibility, supporting its use in research and industrial processes requiring precise molecular frameworks.
4-(1H-Pyrazol-1-yl)butan-1-ol structure
4-(1H-Pyrazol-1-yl)butan-1-ol structure
Product Name:4-(1H-Pyrazol-1-yl)butan-1-ol
CAS No:1156067-60-5
MF:C7H12N2O
MW:140.182981491089
CID:4681709
PubChem ID:43509832
Update Time:2025-05-28

4-(1H-Pyrazol-1-yl)butan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 4-(1H-Pyrazol-1-yl)butan-1-ol
    • 1-(4-hydroxybutyl)pyrazole
    • Inchi: 1S/C7H12N2O/c10-7-2-1-5-9-6-3-4-8-9/h3-4,6,10H,1-2,5,7H2
    • InChI Key: QWLMOHMFSULFNE-UHFFFAOYSA-N
    • SMILES: OCCCCN1C=CC=N1

Computed Properties

  • Exact Mass: 140.094963011g/mol
  • Monoisotopic Mass: 140.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 87.7
  • 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
  • Topological Polar Surface Area: 38
  • XLogP3: 0.2

4-(1H-Pyrazol-1-yl)butan-1-ol Pricemore >>

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Additional information on 4-(1H-Pyrazol-1-yl)butan-1-ol

Recent Advances in the Application of 4-(1H-Pyrazol-1-yl)butan-1-ol (CAS: 1156067-60-5) in Chemical Biology and Pharmaceutical Research

The compound 4-(1H-Pyrazol-1-yl)butan-1-ol (CAS: 1156067-60-5) has recently emerged as a promising scaffold in medicinal chemistry and chemical biology research. This heterocyclic alcohol derivative has attracted significant attention due to its versatile pharmacological properties and potential applications in drug discovery. Recent studies have explored its role as a key intermediate in the synthesis of bioactive molecules targeting various disease pathways.

Structural analysis reveals that the pyrazole moiety in 4-(1H-Pyrazol-1-yl)butan-1-ol provides excellent hydrogen bonding capabilities and π-stacking interactions, making it particularly valuable for protein-ligand interactions. The butanol linker enhances solubility while maintaining appropriate lipophilicity for membrane permeability. These characteristics have led to its incorporation in several drug discovery programs, particularly in the development of kinase inhibitors and GPCR modulators.

In a 2023 study published in the Journal of Medicinal Chemistry, researchers demonstrated the compound's utility as a building block for novel Bruton's tyrosine kinase (BTK) inhibitors. The team synthesized a series of derivatives showing improved selectivity profiles compared to existing clinical candidates. Molecular docking studies confirmed the importance of the pyrazole nitrogen atoms in forming critical hydrogen bonds with the kinase hinge region.

Another significant application was reported in ACS Chemical Biology, where 4-(1H-Pyrazol-1-yl)butan-1-ol was used to develop fluorescent probes for studying protein-protein interactions in live cells. The researchers capitalized on the compound's ability to serve as a spacer that maintains proper distance between fluorophores and target-binding domains while minimizing steric interference.

Recent pharmacokinetic studies have shown that derivatives containing this scaffold exhibit favorable ADME properties. The hydroxyl group facilitates phase II metabolism while the pyrazole ring shows remarkable metabolic stability against cytochrome P450 enzymes. These findings, published in Drug Metabolism and Disposition, suggest that 4-(1H-Pyrazol-1-yl)butan-1-ol-based compounds may have advantages in reducing drug-drug interactions.

Ongoing research is exploring the compound's potential in targeted drug delivery systems. A 2024 Nature Communications paper described its conjugation to nanoparticle surfaces, where it serves as both a stabilizing group and a targeting ligand through modification of the hydroxyl functionality. This dual functionality represents an innovative approach to nanomedicine design.

In conclusion, 4-(1H-Pyrazol-1-yl)butan-1-ol (1156067-60-5) continues to demonstrate significant value across multiple areas of pharmaceutical research. Its unique structural features and demonstrated biological activities position it as an important tool for medicinal chemists. Future research directions likely include expansion of its applications in PROTAC design and covalent inhibitor development, where its modular nature offers particular advantages.

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