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

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-1-(2-methylallyl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-1-(2-methylprop-2-enyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-1-(2-methylallyl)pyrazol-4-yl]propionic acid Formula: C12H18N2O2 MolecularWeight: 222.28352

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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/C12H18N2O2/c1-8(2)7-14-10(4)11(9(3)13-14)5-6-12(15)16/h1,5-7H2,2-4H3,(H,15,16)