5-(hydroxymethyl)-1-methyl-2-phenyl-4-propan-2-yl-pyrazol-3-one

Systemtic Name: 5-(hydroxymethyl)-1-methyl-2-phenyl-4-propan-2-yl-pyrazol-3-one Openeye Name: 5-(hydroxymethyl)-4-isopropyl-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 5-(hydroxymethyl)-1-methyl-2-phenyl-4-propan-2-yl-3-pyrazolone IUPAC Name: 5-(hydroxymethyl)-1-methyl-2-phenyl-4-propan-2-ylpyrazol-3-one Traditional Name: 4-isopropyl-1-methyl-5-methylol-2-phenyl-3-pyrazolin-3-one Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CO

Isomeric SMILES

CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CO

InChI

InChI=1S/C14H18N2O2/c1-10(2)13-12(9-17)15(3)16(14(13)18)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3