6-[(4-fluorophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 6-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(4-fluorobenzyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Formula: C16H13FN3O2- MolecularWeight: 298.291723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C(=O)[O-])C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C(=O)[O-])C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN3O2/c1-9-13(7-11-3-5-12(17)6-4-11)10(2)20-15(19-9)14(8-18-20)16(21)22/h3-6,8H,7H2,1-2H3,(H,21,22)/p-1