3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoic acid CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propionic acid Formula: C12H20N2O2 MolecularWeight: 224.2994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)O

InChI

InChI=1S/C12H20N2O2/c1-8(2)7-14-10(4)11(9(3)13-14)5-6-12(15)16/h8H,5-7H2,1-4H3,(H,15,16)