tert-butyl 3-azanyl-5-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-azanyl-5-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]pyrazole-1-carboxylate Openeye Name: tert-butyl 3-amino-5-[(2S)-1-benzylpyrrolidin-2-yl]pyrazole-1-carboxylate CAS Name: 3-amino-5-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-5-[(2S)-1-benzylpyrrolidin-2-yl]pyrazole-1-carboxylate Traditional Name: 3-amino-5-[(2S)-1-benzylpyrrolidin-2-yl]pyrazole-1-carboxylic acid tert-butyl ester Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)N)C2CCCN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)N)[C@@H]2CCCN2CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)23-16(12-17(20)21-23)15-10-7-11-22(15)13-14-8-5-4-6-9-14/h4-6,8-9,12,15H,7,10-11,13H2,1-3H3,(H2,20,21)/t15-/m0/s1