tert-butyl 3-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate

Systemtic Name: tert-butyl 3-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: tert-butyl 3-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid tert-butyl ester Formula: C16H14F6N2O2 MolecularWeight: 380.284979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=NN1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=NN1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H14F6N2O2/c1-14(2,3)26-13(25)12-7-11(23-24-12)8-4-9(15(17,18)19)6-10(5-8)16(20,21)22/h4-7H,1-3H3,(H,23,24)