1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-methyl-methanamine; ethanedioic acid

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-methyl-methanamine; ethanedioic acid Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-methyl-methanamine; oxalic acid CAS Name: 1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-methylmethanamine; oxalic acid IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine; oxalic acid Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amine; oxalic acid Formula: C15H19N3O4 MolecularWeight: 305.32906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17N3.C2H2O4/c1-10-13(9-14-3)11(2)16(15-10)12-7-5-4-6-8-12;3-1(4)2(5)6/h4-8,14H,9H2,1-3H3;(H,3,4)(H,5,6)