ethyl 5-azanyl-1-[4-(propan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(propan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(isopropylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-(propan-2-ylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(propan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(isopropylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)C)N

InChI

InChI=1S/C16H20N4O3/c1-4-23-16(22)13-9-18-20(14(13)17)12-7-5-11(6-8-12)15(21)19-10(2)3/h5-10H,4,17H2,1-3H3,(H,19,21)