ethyl 5-azanyl-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)C(=O)NC3CC3)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)C(=O)NC3CC3)C)N

InChI

InChI=1S/C17H20N4O3/c1-3-24-17(23)13-9-19-21(15(13)18)14-8-11(5-4-10(14)2)16(22)20-12-6-7-12/h4-5,8-9,12H,3,6-7,18H2,1-2H3,(H,20,22)