3-[(3-azanyl-5-methyl-pyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(3-azanyl-5-methyl-pyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(3-amino-5-methyl-pyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(3-amino-5-methyl-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(3-amino-5-methylpyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(3-amino-5-methyl-pyrazol-1-yl)methyl]benzoic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)O)N

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)O)N

InChI

InChI=1S/C12H13N3O2/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(6-9)12(16)17/h2-6H,7H2,1H3,(H2,13,14)(H,16,17)