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

Systemtic Name: tert-butyl 4-azanyl-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxylate CAS Name: 4-amino-5-propyl-3-[4-(trifluoromethyl)phenyl]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxylate Traditional Name: 4-amino-5-propyl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxylic acid tert-butyl ester Formula: C18H22F3N3O2 MolecularWeight: 369.38139

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CCCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C18H22F3N3O2/c1-5-6-13-14(22)15(23-24(13)16(25)26-17(2,3)4)11-7-9-12(10-8-11)18(19,20)21/h7-10H,5-6,22H2,1-4H3