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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)O

InChI

InChI=1S/C11H15N3O2/c1-8-10(4-5-11(15)16)9(2)14(13-8)7-3-6-12/h3-5,7H2,1-2H3,(H,15,16)