5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate

Systemtic Name: 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate Openeye Name: 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxylate IUPAC Name: 5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-2-(4-fluorobenzyl)pyrazole-3-carboxylate Formula: C15H16FN2O2- MolecularWeight: 275.298143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)[O-])CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)[O-])CC2=CC=C(C=C2)F

InChI

InChI=1S/C15H17FN2O2/c1-15(2,3)13-8-12(14(19)20)18(17-13)9-10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3,(H,19,20)/p-1