structure of ethyl 1-isopropyl-1H-pyrazole-5-carboxylate

ethyl 1-isopropyl-1H-pyrazole-5-carboxylate

CAS No.: 1007504-99-5
M. Wt: 182.22
M. Fa: C9H14N2O2
InChI Key: OKVHCSUVGOFRDC-UHFFFAOYSA-N

Names and Identifiers of 1007504-99-5

CAS Number

1007504-99-5

IUPAC Name

ethyl 2-propan-2-ylpyrazole-3-carboxylate

InChI

InChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-6-10-11(8)7(2)3/h5-7H,4H2,1-3H3

InChIKey

OKVHCSUVGOFRDC-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=CC=NN1C(C)C

Physical and chemical properties of 1007504-99-5

Molecular Formula

C9H14N2O2

Molecular Weight

182.22

Storage condition

Store at room temperature

Safety Information of 1007504-99-5

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1007504-99-5

Ethyl 1-(1-methylethyl)-1H-pyrazole-5-carboxylate finds diverse applications across several fields:

  • Chemistry: It serves as a precursor for synthesizing more complex pyrazole derivatives.
  • Biology: Investigated for its potential therapeutic effects, particularly as a precursor for pharmaceutical agents targeting various diseases.
  • Industry: Utilized in the development of agrochemicals and other industrial products due to its versatile reactivity.

Interaction Studies of 1007504-99-5

Studies on the interactions of Ethyl 1-(1-methylethyl)-1H-pyrazole-5-carboxylate reveal its ability to bind with specific enzymes and receptors. This binding can inhibit enzymatic activity or modulate receptor functions, leading to potential therapeutic effects. Understanding these interactions is crucial for optimizing its use in medicinal chemistry and drug development.

Biological Activity of 1007504-99-5

Research into the biological activity of Ethyl 1-(1-methylethyl)-1H-pyrazole-5-carboxylate indicates potential antimicrobial and anti-inflammatory properties. The compound's mechanism of action likely involves interactions with specific molecular targets, such as enzymes and receptors, modulating their activity. The hydrolysis of the ester group may release active metabolites that contribute to its biological effects.

Physical sample testing spectrum (NMR) of 1007504-99-5

Physical sample testing spectrum (NMR) of 1007504-99-5