ethanedioic acid; 3-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]propan-1-ol

Systemtic Name: ethanedioic acid; 3-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]propan-1-ol Openeye Name: oxalic acid; 3-[[5-(p-tolyl)-1H-pyrazol-4-yl]methylamino]propan-1-ol CAS Name: 3-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]-1-propanol; oxalic acid IUPAC Name: 3-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]propan-1-ol; oxalic acid Traditional Name: oxalic acid; 3-[[5-(p-tolyl)-1H-pyrazol-4-yl]methylamino]propan-1-ol Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)CNCCCO.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)CNCCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3O.C2H2O4/c1-11-3-5-12(6-4-11)14-13(10-16-17-14)9-15-7-2-8-18;3-1(4)2(5)6/h3-6,10,15,18H,2,7-9H2,1H3,(H,16,17);(H,3,4)(H,5,6)