3-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

• ChemBase ID: 317960
• Molecular Formular: C13H20N6O2
• Molecular Mass: 292.3369
• Monoisotopic Mass: 292.16477391
• SMILES: c1(cc(nn1C)C1CC1)NC(=O)NCCN1C(=O)NCC1
• Canonical SMILES: O=C(Nc1cc(nn1C)C1CC1)NCCN1CCNC1=O
• InChI: InChI=1S/C13H20N6O2/c1-18-11(8-10(17-18)9-2-3-9)16-12(20)14-4-6-19-7-5-15-13(19)21/h8-9H,2-7H2,1H3,(H,15,21)(H2,14,16,20)
• InChIKey: LDQIQRIEMATHKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
• IUPAC Traditional name: 3-(5-cyclopropyl-2-methylpyrazol-3-yl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
• Synonyms: N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.02389
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.50676924
• LogD (pH = 7.4): -0.5064563
• Log P: -0.50645137
• Molar Refractivity: 88.5365 cm^3
• Polarizability: 28.712423 Å^3
• Polar Surface Area: 91.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.46
• LOG S: -1.73
• Polar Surface Area: 91.29 Å^2
• Rotatable Bonds: 5