structure of 1-[2-(1-Piperidyl)ethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester

1-[2-(1-Piperidyl)ethyl]-1H-pyrazole-4-boronic Acid Pinacol Ester

CAS No.: 1000802-51-6
M. Wt: 305.22300
M. Fa: C16H28BN3O2
InChI Key: CUDGRVPQYNPZOL-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000802-51-6

CAS Number

1000802-51-6

MDL Number

MFCD21337776

IUPAC Name

1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]piperidine

InChI

InChI=1S/C16H28BN3O2/c1-15(2)16(3,4)22-17(21-15)14-12-18-20(13-14)11-10-19-8-6-5-7-9-19/h12-13H,5-11H2,1-4H3

InChIKey

CUDGRVPQYNPZOL-UHFFFAOYSA-N

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCN3CCCCC3

UNSPSC Code

12352100

Physical and chemical properties of 1000802-51-6

Exact Mass

305.22700

H Bond Acceptors

4

H Bond Donors

0

LogP

1.60610

Molecular Formula

C16H28BN3O2

Molecular Weight

305.22300

PSA

39.52000

Safety Information of 1000802-51-6

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000802-51-6

The primary applications of 1-[2-(1-Piperidyl)ethyl]-1H-pyrazole-4-boronic acid pinacol ester include:

  • Synthetic Intermediates: It serves as an intermediate in the synthesis of biologically active compounds.
  • Pharmaceutical Development: Its unique structure allows it to be a potential candidate for drug formulation targeting various diseases.
  • Material Science: The compound's reactivity makes it useful in developing new materials through organic synthesis techniques.

Interaction Studies of 1000802-51-6

Interaction studies involving 1-[2-(1-Piperidyl)ethyl]-1H-pyrazole-4-boronic acid pinacol ester focus on its binding affinity to various biological targets. These studies are crucial for understanding its mechanism of action and therapeutic potential. Investigations may include:

  • Binding Studies: Assessing how well the compound binds to specific receptors or enzymes.
  • Activity Assays: Evaluating its efficacy in biological systems, such as cell lines or animal models.

Such studies provide insight into its pharmacokinetics and pharmacodynamics.

Biological Activity of 1000802-51-6

The biological activity of 1-[2-(1-Piperidyl)ethyl]-1H-pyrazole-4-boronic acid pinacol ester stems from its structural components, particularly the pyrazole and piperidine moieties. Pyrazole derivatives are known for their diverse pharmacological properties, including anti-inflammatory, antipyretic, and analgesic effects. The presence of the piperidine ring may enhance its ability to interact with biological targets, potentially leading to applications in drug development.