5-(2,2-dimethylpropyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(2,2-dimethylpropyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(2,2-dimethylpropyl)-1,2-dihydropyrazol-3-one CAS Name: 5-(2,2-dimethylpropyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-(2,2-dimethylpropyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-neopentyl-3-pyrazolin-3-one Formula: C8H14N2O MolecularWeight: 154.20956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC(=O)NN1

Isomeric SMILES

CC(C)(C)CC1=CC(=O)NN1

InChI

InChI=1S/C8H14N2O/c1-8(2,3)5-6-4-7(11)10-9-6/h4H,5H2,1-3H3,(H2,9,10,11)