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(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name:(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
Openeye Name:(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Name:(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
IUPAC Name:(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
Traditional Name:(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
Formula: C16H15F3N3O4-
MolecularWeight: 370.30321
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(N3C(=N2)C=C(N3)C(=O)[O-])C(F)(F)F)OC


Isomeric SMILES

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


InChI

InChI=1S/C16H16F3N3O4/c1-25-11-4-3-8(5-12(11)26-2)9-6-13(16(17,18)19)22-14(20-9)7-10(21-22)15(23)24/h3-5,7,9,13,21H,6H2,1-2H3,(H,23,24)/p-1/t9-,13+/m0/s1


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