4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoic acid Openeye Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoic acid CAS Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoic acid IUPAC Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoic acid Traditional Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-8-12(9(2)16-15-8)7-14-11-5-3-10(4-6-11)13(17)18/h3-6,14H,7H2,1-2H3,(H,15,16)(H,17,18)