2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid Openeye Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid CAS Name: 2-[4-(aminomethyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid IUPAC Name: 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoic acid Traditional Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2C(=O)O)C)CN

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2C(=O)O)C)CN

InChI

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