1-[(phenylmethyl)amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(phenylmethyl)amino]pyrazole-4-carboxylic acid Openeye Name: 1-(benzylamino)pyrazole-4-carboxylic acid CAS Name: 1-[(phenylmethyl)amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(benzylamino)pyrazole-4-carboxylic acid Traditional Name: 1-(benzylamino)pyrazole-4-carboxylic acid Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C11H11N3O2/c15-11(16)10-7-13-14(8-10)12-6-9-4-2-1-3-5-9/h1-5,7-8,12H,6H2,(H,15,16)