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

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

Systemtic Name:4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoic acid
Openeye Name:4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoic acid
CAS Name:4-[(3,5-dimethyl-1-pyrazolyl)methylamino]benzoic acid
IUPAC Name:4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoic acid
Traditional Name:4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoic acid
Formula: C13H15N3O2
MolecularWeight: 245.2771
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CNC2=CC=C(C=C2)C(=O)O)C


Isomeric SMILES

CC1=CC(=NN1CNC2=CC=C(C=C2)C(=O)O)C


InChI

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


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