6-(3-oxidanylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: 6-(3-oxidanylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-(3-hydroxypropyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Formula: C11H9F3N3O3- MolecularWeight: 288.20267

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C=NN2C(=C1CCCO)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=NC2=C(C=NN2C(=C1CCCO)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C11H10F3N3O3/c12-11(13,14)8-6(2-1-3-18)4-15-9-7(10(19)20)5-16-17(8)9/h4-5,18H,1-3H2,(H,19,20)/p-1