3-[(3,4,5-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[(3,4,5-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[(3,4,5-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(3,4,5-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[(3,4,5-trimethoxyphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[(3,4,5-trimethoxybenzyl)amino]-1H-pyrazole-5-carboxylic acid Formula: C14H17N3O5 MolecularWeight: 307.30188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NNC(=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NNC(=C2)C(=O)O

InChI

InChI=1S/C14H17N3O5/c1-20-10-4-8(5-11(21-2)13(10)22-3)7-15-12-6-9(14(18)19)16-17-12/h4-6H,7H2,1-3H3,(H,18,19)(H2,15,16,17)