1-methyl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[4-(2-thienylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[4-(2-thenyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C15H18N4O3S/c1-17-13(12(9-16-17)15(21)22)14(20)19-6-4-18(5-7-19)10-11-3-2-8-23-11/h2-3,8-9H,4-7,10H2,1H3,(H,21,22)