3-[2-(4-cyclohexylpiperazin-1-yl)ethanoylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[2-(4-cyclohexylpiperazin-1-yl)ethanoylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[[2-(4-cyclohexylpiperazino)acetyl]amino]-1H-pyrazole-5-carboxylic acid Formula: C16H25N5O3 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)CC(=O)NC3=NNC(=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)CC(=O)NC3=NNC(=C3)C(=O)O

InChI

InChI=1S/C16H25N5O3/c22-15(17-14-10-13(16(23)24)18-19-14)11-20-6-8-21(9-7-20)12-4-2-1-3-5-12/h10,12H,1-9,11H2,(H,23,24)(H2,17,18,19,22)