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

Systemtic Name: tert-butyl 4-azanyl-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxylate CAS Name: 4-amino-5-methyl-3-[4-(trifluoromethyl)phenyl]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxylate Traditional Name: 4-amino-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxylic acid tert-butyl ester Formula: C16H18F3N3O2 MolecularWeight: 341.32823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N3O2/c1-9-12(20)13(21-22(9)14(23)24-15(2,3)4)10-5-7-11(8-6-10)16(17,18)19/h5-8H,20H2,1-4H3