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

Systemtic Name: methyl 5-(1-adamantyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H20F3N3O2 MolecularWeight: 379.37621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O2/c1-27-17(26)13-9-23-25-15(19(20,21)22)5-14(24-16(13)25)18-6-10-2-11(7-18)4-12(3-10)8-18/h5,9-12H,2-4,6-8H2,1H3