3-[(2-methylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[(2-methylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(o-tolylmethylamino)-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(2-methylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[(2-methylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[(2-methylbenzyl)amino]-1H-pyrazole-5-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=NNC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CNC2=NNC(=C2)C(=O)O

InChI

InChI=1S/C12H13N3O2/c1-8-4-2-3-5-9(8)7-13-11-6-10(12(16)17)14-15-11/h2-6H,7H2,1H3,(H,16,17)(H2,13,14,15)