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

Systemtic Name: 5-methyl-3-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrazole-4-carboxylic acid Openeye Name: 3-(4-benzylpiperazin-1-yl)-5-methyl-1H-pyrazole-4-carboxylic acid CAS Name: 5-methyl-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrazole-4-carboxylic acid IUPAC Name: 3-(4-benzylpiperazin-1-yl)-5-methyl-1H-pyrazole-4-carboxylic acid Traditional Name: 3-(4-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)N2CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

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