Ethyl 5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

HCID 742292

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Basic information

CAS: 333762-01-9
Standard SMILES: CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12
InChIKey: BMLMNTKAEDAFLS-UHFFFAOYSA-N
Molecular formula: C14H10F3N3O2S
Average molar mass: 341.31 g/mol
Monoisotopic mass: 341.04458223

Names & identifiers

Preferred name: Ethyl 5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
IUPAC: ethyl 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Names & synonyms

333762-01-9ethyl 5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylateethyl 5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylateSCHEMBL31351804SCHEMBL31351806DTXSID601137210STK838122AKOS001623053AG-219/11788001SR-01000551331SR-01000551331-1ethyl5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Database identifiers

CAS: 333762-01-9
PubChem CID: 742292
DTXSID: DTXSID601137210

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 451

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