(5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: (5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: (5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: (5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: (5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: (5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C15H14F3N3O3 MolecularWeight: 341.28517

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(N3C(=N2)C=C(N3)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C[C@@H](N3C(=N2)C=C(N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O3/c1-24-9-4-2-8(3-5-9)10-6-12(15(16,17)18)21-13(19-10)7-11(20-21)14(22)23/h2-5,7,10,12,20H,6H2,1H3,(H,22,23)/t10-,12+/m0/s1