structure of 5-(2-Phenylethyl)-1H-pyrazol-3-amine

5-(2-Phenylethyl)-1H-pyrazol-3-amine

CAS No.: 1000895-40-8
M. Wt: 187.24100
M. Fa: C11H13N3
InChI Key: XRFRSAFQLGCWFY-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 5-(2-Phenylethyl)-1H-pyrazol-3-amine

CAS Number

1000895-40-8

EC Number

823-236-3

MDL Number

MFCD10689450

IUPAC Name

5-(2-phenylethyl)-1H-pyrazol-3-amine

InChI

InChI=1S/C11H13N3/c12-11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,12,13,14)

InChIKey

XRFRSAFQLGCWFY-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)CCC2=CC(=NN2)N

UNSPSC Code

12352100

Physical and chemical properties of 5-(2-Phenylethyl)-1H-pyrazol-3-amine

Exact Mass

187.11100

LogP

1.70720

Molecular Formula

C11H13N3

Molecular Weight

187.24100

PSA

55.43000

Safety Information of 5-(2-Phenylethyl)-1H-pyrazol-3-amine

Pictograms

Signal Word

 Danger

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

Applications of 5-(2-Phenylethyl)-1H-pyrazol-3-amine

5-(2-Phenylethyl)-1H-pyrazol-3-amine has potential applications in various fields:

  • Medicinal Chemistry: As a scaffold for developing new therapeutic agents.
  • Material Science: In the production of specialty chemicals and materials due to its unique structure.
  • Research: As a building block for synthesizing more complex molecules.

Interaction Studies of 5-(2-Phenylethyl)-1H-pyrazol-3-amine

Interaction studies involving similar compounds suggest that pyrazoles can engage in hydrogen bonding and electrostatic interactions with biological macromolecules. This characteristic is crucial for their potential use as drug candidates, influencing their binding affinity and specificity toward various targets.