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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CC2=CC=CC=C2C(=O)O)N)C

Isomeric SMILES

CC1=NN(C(=C1CC2=CC=CC=C2C(=O)O)N)C

InChI

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