structure of 1H-Indazole-5-acetonitrile

1H-Indazole-5-acetonitrile

CAS No.: 1000543-14-5
M. Wt: 157.17200
M. Fa: C9H7N3
InChI Key: -

Names and Identifiers of 1H-Indazole-5-acetonitrile

CAS Number

1000543-14-5

IUPAC Name

2-(1H-indazol-5-yl)ethanenitrile

Canonical SMILES

C1=CC2=C(C=C1CC#N)C=NN2

Physical and chemical properties of 1H-Indazole-5-acetonitrile

Acidity coefficient

13.48±0.40(Predicted)

Boiling Point

392.0±17.0 °C(Predicted)

Density

1.295±0.06 g/cm3(Predicted)

Exact Mass

157.06400

LogP

1.62898

Molecular Formula

C9H7N3

Molecular Weight

157.17200

PSA

52.47000

Safety Information of 1H-Indazole-5-acetonitrile

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1H-Indazole-5-acetonitrile

The applications of 2-(1H-indazol-5-yl)acetonitrile are primarily found in medicinal chemistry and pharmaceutical research. Its potential as an enzyme inhibitor positions it as a candidate for drug development aimed at treating various diseases, including cancer and neurodegenerative disorders. Furthermore, its unique structural features make it a valuable scaffold for designing new therapeutic agents.

Interaction Studies of 1H-Indazole-5-acetonitrile

Interaction studies involving 2-(1H-indazol-5-yl)acetonitrile have focused on its binding affinity with specific enzymes and receptors. These studies often employ techniques such as molecular docking and kinetic assays to elucidate how this compound interacts at the molecular level. Understanding these interactions is crucial for optimizing its efficacy as a drug candidate.

Biological Activity of 1H-Indazole-5-acetonitrile

2-(1H-indazol-5-yl)acetonitrile exhibits notable biological activities, particularly in the realm of enzyme inhibition. Research indicates that indazole derivatives can inhibit monoamine oxidase B and nitric oxide synthase, both of which are crucial in various physiological processes. Such activities suggest potential therapeutic applications in treating neurodegenerative diseases and other conditions where these enzymes play a significant role.

Retrosynthesis analysis of 1H-Indazole-5-acetonitrile

  • Route#1

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