CAS 1328640-36-3

Methyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylate

Description:

Methyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylate group, which contributes to its acidic properties, and an amino group that can participate in hydrogen bonding, enhancing its reactivity and potential biological activity. The presence of a difluoroethyl substituent introduces significant electronegativity, which can influence the compound's lipophilicity and overall stability. This structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can interact with biological targets. The compound's molecular properties, such as solubility and reactivity, are influenced by its functional groups and the steric effects of the difluoroethyl moiety. Overall, Methyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylate represents a versatile scaffold for further chemical modifications and investigations in various fields, including agrochemicals and drug discovery.

Formula: C₇H₉F₂N₃O₂

InChI: InChI=1S/C7H9F2N3O2/c1-14-7(13)4-2-6(10)11-12(4)3-5(8)9/h2,5H,3H2,1H3,(H2,10,11)

InChI key: InChIKey=UKTLGSTWUPQJSW-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1N(CC(F)F)N=C(N)C1

Synonyms:

• 1H-Pyrazole-5-carboxylic acid, 3-amino-1-(2,2-difluoroethyl)-, methyl ester
• Methyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylate

Methyl 3-amino-1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylate

CAS: 1328640-36-3

Versatile small molecule scaffold

Formula: C₇H₉F₂N₃O₂

Purity: Min. 95%

Molecular weight: 205.16 g/mol

Ref: 3D-DDC64036