5-methyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 240730
• Molecular Formular: C8H10N4O2
• Molecular Mass: 194.1906
• Monoisotopic Mass: 194.08037558
• SMILES: c1(C2(C(=O)NC(=O)N2)C)cn(nc1)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1cnn(c1)C
• InChI: InChI=1S/C8H10N4O2/c1-8(5-3-9-12(2)4-5)6(13)10-7(14)11-8/h3-4H,1-2H3,(H2,10,11,13,14)
• InChIKey: UNVQWERYRXJZJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
• Synonyms: 5-methyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD22392204
• PubChem SID: 164296640
• PubChem CID: 71756617

CALCULATED PROPERTIES

• Acid pKa: 9.774466
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6532506
• LogD (pH = 7.4): -0.6549748
• Log P: -0.6531651
• Molar Refractivity: 59.0207 cm^3
• Polarizability: 18.060368 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.839

Product Information

• Purity: 95%