tert-butyl 4-azanyl-3-[3,4-bis(fluoranyl)phenyl]-5-methyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-[3,4-bis(fluoranyl)phenyl]-5-methyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-(3,4-difluorophenyl)-5-methyl-pyrazole-1-carboxylate CAS Name: 4-amino-3-(3,4-difluorophenyl)-5-methyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-(3,4-difluorophenyl)-5-methylpyrazole-1-carboxylate Traditional Name: 4-amino-3-(3,4-difluorophenyl)-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C15H17F2N3O2 MolecularWeight: 309.311186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC(=C(C=C2)F)F)N

Isomeric SMILES

CC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC(=C(C=C2)F)F)N

InChI

InChI=1S/C15H17F2N3O2/c1-8-12(18)13(9-5-6-10(16)11(17)7-9)19-20(8)14(21)22-15(2,3)4/h5-7H,18H2,1-4H3