N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 651577
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1n(c(c(c1C)CCNC(=O)c1cc(N2C(=O)NCC2)ccc1)C)CC
• Canonical SMILES: CCn1nc(c(c1C)CCNC(=O)c1cccc(c1)N1CCNC1=O)C
• InChI: InChI=1S/C19H25N5O2/c1-4-24-14(3)17(13(2)22-24)8-9-20-18(25)15-6-5-7-16(12-15)23-11-10-21-19(23)26/h5-7,12H,4,8-11H2,1-3H3,(H,20,25)(H,21,26)
• InChIKey: XENZKYJSBDEUPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.593227
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.99434227
• LogD (pH = 7.4): 0.9966485
• Log P: 0.99667805
• Molar Refractivity: 112.3772 cm^3
• Polarizability: 37.514324 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.65
• LOG S: -2.35
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6