ethyl 4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H18F3N5O3S MolecularWeight: 453.43813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C19H18F3N5O3S/c1-2-30-18(29)26-7-5-25(6-8-26)17(28)12-11-23-27-15(19(20,21)22)10-13(24-16(12)27)14-4-3-9-31-14/h3-4,9-11H,2,5-8H2,1H3