tert-butyl 4-azanyl-5-cyclopropyl-3-(2,4-dimethylphenyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-5-cyclopropyl-3-(2,4-dimethylphenyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-5-cyclopropyl-3-(2,4-dimethylphenyl)pyrazole-1-carboxylate CAS Name: 4-amino-5-cyclopropyl-3-(2,4-dimethylphenyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-5-cyclopropyl-3-(2,4-dimethylphenyl)pyrazole-1-carboxylate Traditional Name: 4-amino-5-cyclopropyl-3-(2,4-dimethylphenyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C(=C2N)C3CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C(=C2N)C3CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H25N3O2/c1-11-6-9-14(12(2)10-11)16-15(20)17(13-7-8-13)22(21-16)18(23)24-19(3,4)5/h6,9-10,13H,7-8,20H2,1-5H3