CAS 1221724-15-7

Carbamic acid, N-[3-(1-cyclopropyl-1H-tetrazol-5-yl)phenyl]-, 2,2,2-trifluoroethyl ester

Description:

Carbamic acid, N-[3-(1-cyclopropyl-1H-tetrazol-5-yl)phenyl]-, 2,2,2-trifluoroethyl ester, identified by CAS number 1221724-15-7, is a chemical compound characterized by its unique structure that includes a carbamic acid moiety and a trifluoroethyl ester group. This compound features a phenyl ring substituted with a cyclopropyl-tetrazole group, which contributes to its potential biological activity. The presence of the trifluoroethyl group enhances lipophilicity, potentially influencing its pharmacokinetic properties. The tetrazole ring is known for its role in various biological applications, including as a bioisostere for carboxylic acids. The compound may exhibit interesting interactions with biological targets, making it of interest in medicinal chemistry and drug development. Its stability, solubility, and reactivity can be influenced by the functional groups present, and it may undergo hydrolysis under certain conditions, releasing the corresponding carbamic acid and trifluoroethanol. Overall, this compound represents a class of molecules that could have significant implications in pharmaceutical research.

Formula: C₁₃H₁₂F₃N₅O₂

InChI: InChI=1S/C13H12F3N5O2/c14-13(15,16)7-23-12(22)17-9-3-1-2-8(6-9)11-18-19-20-21(11)10-4-5-10/h1-3,6,10H,4-5,7H2,(H,17,22)

InChI key: InChIKey=YTHDKUGMNYOWES-UHFFFAOYSA-N

SMILES: N(C(OCC(F)(F)F)=O)C=1C=C(C=2N(N=NN2)C3CC3)C=CC1

Synonyms:

• 2,2,2-Trifluoroethyl N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
• 2,2,2-Trifluoroethyl N-[3-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)phenyl]carbamate
• Carbamic acid, N-[3-(1-cyclopropyl-1H-tetrazol-5-yl)phenyl]-, 2,2,2-trifluoroethyl ester

2,2,2-Trifluoroethyl N-[3-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)phenyl]carbamate

CAS: 1221724-15-7

Versatile small molecule scaffold

Formula: C₁₃H₁₂F₃N₅O₂

Purity: Min. 95%

Molecular weight: 327.26 g/mol

Ref: 3D-WYB72415