5-methyl-3-[2-(phenylmethyl)piperazin-1-yl]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-3-[2-(phenylmethyl)piperazin-1-yl]-1H-pyrazole-4-carboxylic acid Openeye Name: 3-(2-benzylpiperazin-1-yl)-5-methyl-1H-pyrazole-4-carboxylic acid CAS Name: 5-methyl-3-[2-(phenylmethyl)-1-piperazinyl]-1H-pyrazole-4-carboxylic acid IUPAC Name: 3-(2-benzylpiperazin-1-yl)-5-methyl-1H-pyrazole-4-carboxylic acid Traditional Name: 3-(2-benzylpiperazino)-5-methyl-1H-pyrazole-4-carboxylic acid Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)N2CCNCC2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)N2CCNCC2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H20N4O2/c1-11-14(16(21)22)15(19-18-11)20-8-7-17-10-13(20)9-12-5-3-2-4-6-12/h2-6,13,17H,7-10H2,1H3,(H,18,19)(H,21,22)