methyl 5-azanyl-1-(4-pyrrolidin-1-ylcarbonylphenyl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-(4-pyrrolidin-1-ylcarbonylphenyl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCCC3)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCCC3)N

InChI

InChI=1S/C16H18N4O3/c1-23-16(22)13-10-18-20(14(13)17)12-6-4-11(5-7-12)15(21)19-8-2-3-9-19/h4-7,10H,2-3,8-9,17H2,1H3