1-ethyl-4-[(2-methylphenyl)methylamino]pyrazole-3-carboxylic acid

Systemtic Name: 1-ethyl-4-[(2-methylphenyl)methylamino]pyrazole-3-carboxylic acid Openeye Name: 1-ethyl-4-(o-tolylmethylamino)pyrazole-3-carboxylic acid CAS Name: 1-ethyl-4-[(2-methylphenyl)methylamino]-3-pyrazolecarboxylic acid IUPAC Name: 1-ethyl-4-[(2-methylphenyl)methylamino]pyrazole-3-carboxylic acid Traditional Name: 1-ethyl-4-[(2-methylbenzyl)amino]pyrazole-3-carboxylic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)O)NCC2=CC=CC=C2C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)O)NCC2=CC=CC=C2C

InChI

InChI=1S/C14H17N3O2/c1-3-17-9-12(13(16-17)14(18)19)15-8-11-7-5-4-6-10(11)2/h4-7,9,15H,3,8H2,1-2H3,(H,18,19)