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

Systemtic Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]acetic acid CAS Name: 2-[4-(aminomethyl)-3,5-dimethyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]acetic acid Formula: C8H13N3O2 MolecularWeight: 183.20772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)CN

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)CN

InChI

InChI=1S/C8H13N3O2/c1-5-7(3-9)6(2)11(10-5)4-8(12)13/h3-4,9H2,1-2H3,(H,12,13)