3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methyl-benzoic acid Openeye Name: 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methyl-benzoic acid CAS Name: 3-[(1,5-dimethyl-4-pyrazolyl)methylamino]-4-methylbenzoic acid IUPAC Name: 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylbenzoic acid Traditional Name: 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methyl-benzoic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NCC2=C(N(N=C2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NCC2=C(N(N=C2)C)C

InChI

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