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

Systemtic Name: methyl 5-azanyl-1-[4-(2-dimethylaminoethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(2-dimethylaminoethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(2-dimethylaminoethylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(2-dimethylaminoethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(2-dimethylaminoethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N

Isomeric SMILES

CN(C)CCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N

InChI

InChI=1S/C16H21N5O3/c1-20(2)9-8-18-15(22)11-4-6-12(7-5-11)21-14(17)13(10-19-21)16(23)24-3/h4-7,10H,8-9,17H2,1-3H3,(H,18,22)