structure of 1-Isopropyl-1H-pyrazole-5-carbaldehyde

1-Isopropyl-1H-pyrazole-5-carbaldehyde

CAS No.: 100305-93-9
M. Wt: 138.16700
M. Fa: C7H10N2O
InChI Key: JGQABCBGCJORGR-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 1-Isopropyl-1H-pyrazole-5-carbaldehyde

CAS Number

100305-93-9

EC Number

839-247-1

MDL Number

MFCD03130042

IUPAC Name

2-propan-2-ylpyrazole-3-carbaldehyde

InChI

InChI=1S/C7H10N2O/c1-6(2)9-7(5-10)3-4-8-9/h3-6H,1-2H3

InChIKey

JGQABCBGCJORGR-UHFFFAOYSA-N

Canonical SMILES

CC(C)N1C(=CC=N1)C=O

UNSPSC Code

12352100

Physical and chemical properties of 1-Isopropyl-1H-pyrazole-5-carbaldehyde

Boiling Point

228.9±13.0°C

Exact Mass

138.07900

LogP

1.27650

Molecular Formula

C7H10N2O

Molecular Weight

138.16700

PSA

34.89000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Safety Information of 1-Isopropyl-1H-pyrazole-5-carbaldehyde

Pictograms

Signal Word

 Warning

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

Applications of 1-Isopropyl-1H-pyrazole-5-carbaldehyde

1-Isopropyl-1H-pyrazole-5-carbaldehyde has several notable applications:

  • Pharmaceutical Development: As a building block for synthesizing novel pharmaceutical agents, particularly those targeting inflammatory or infectious diseases.
  • Agrochemicals: Potential use in developing pesticides or herbicides due to its structural characteristics that may confer biological activity against pests.
  • Chemical Research: Utilized as a reagent in organic synthesis for creating more complex molecules.

Physical sample testing spectrum (NMR) of 1-Isopropyl-1H-pyrazole-5-carbaldehyde

Physical sample testing spectrum (NMR) of 1-Isopropyl-1H-pyrazole-5-carbaldehyde