3-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperazino]propionic acid Formula: C13H21ClN4O2 MolecularWeight: 300.78444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCN(CC2)CCC(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCN(CC2)CCC(=O)O)Cl)C

InChI

InChI=1S/C13H21ClN4O2/c1-10-11(13(14)16(2)15-10)9-18-7-5-17(6-8-18)4-3-12(19)20/h3-9H2,1-2H3,(H,19,20)