ethyl 5-(1-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 5-(1-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-(1-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-(1-adamantyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(1-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C20H22F3N3O2 MolecularWeight: 393.40279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H22F3N3O2/c1-2-28-18(27)14-10-24-26-16(20(21,22)23)6-15(25-17(14)26)19-7-11-3-12(8-19)5-13(4-11)9-19/h6,10-13H,2-5,7-9H2,1H3