1-(3,5-dimethyl-1H-pyrazol-4-yl)butan-1-one

Systemtic Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)butan-1-one Openeye Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)butan-1-one CAS Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-1-butanone IUPAC Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)butan-1-one Traditional Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)butan-1-one Formula: C9H14N2O MolecularWeight: 166.22026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NN=C1C)C

Isomeric SMILES

CCCC(=O)C1=C(NN=C1C)C

InChI

InChI=1S/C9H14N2O/c1-4-5-8(12)9-6(2)10-11-7(9)3/h4-5H2,1-3H3,(H,10,11)