5-tert-butyl-2-propanoyl-1H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-2-propanoyl-1H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-propanoyl-1H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(1-oxopropyl)-1H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-propanoyl-1H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-propionyl-3-pyrazolin-3-one Formula: C10H16N2O2 MolecularWeight: 196.24624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=O)C=C(N1)C(C)(C)C

Isomeric SMILES

CCC(=O)N1C(=O)C=C(N1)C(C)(C)C

InChI

InChI=1S/C10H16N2O2/c1-5-8(13)12-9(14)6-7(11-12)10(2,3)4/h6,11H,5H2,1-4H3