2-methyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylic acid Openeye Name: 2-methyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylic acid CAS Name: 2-methyl-4-[(3-propoxyphenyl)methylamino]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-4-[(3-propoxyphenyl)methylamino]pyrazole-3-carboxylic acid Traditional Name: 2-methyl-4-[(3-propoxybenzyl)amino]pyrazole-3-carboxylic acid Formula: C15H19N3O3 MolecularWeight: 289.32966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)CNC2=C(N(N=C2)C)C(=O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)CNC2=C(N(N=C2)C)C(=O)O

InChI

InChI=1S/C15H19N3O3/c1-3-7-21-12-6-4-5-11(8-12)9-16-13-10-17-18(2)14(13)15(19)20/h4-6,8,10,16H,3,7,9H2,1-2H3,(H,19,20)