tert-butyl 4-azanyl-3-(4-tert-butylphenyl)-5-ethyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-(4-tert-butylphenyl)-5-ethyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-(4-tert-butylphenyl)-5-ethyl-pyrazole-1-carboxylate CAS Name: 4-amino-3-(4-tert-butylphenyl)-5-ethyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-(4-tert-butylphenyl)-5-ethylpyrazole-1-carboxylate Traditional Name: 4-amino-3-(4-tert-butylphenyl)-5-ethyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C20H29N3O2/c1-8-15-16(21)17(22-23(15)18(24)25-20(5,6)7)13-9-11-14(12-10-13)19(2,3)4/h9-12H,8,21H2,1-7H3