N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 577784
• Molecular Formular: C14H21N5O3
• Molecular Mass: 307.34824
• Monoisotopic Mass: 307.16443956
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCCn1nc(cc1C)C
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCCn1nc(cc1C)C
• InChI: InChI=1S/C14H21N5O3/c1-9-8-10(2)19(18-9)7-3-6-15-12(20)5-4-11-13(21)17-14(22)16-11/h8,11H,3-7H2,1-2H3,(H,15,20)(H2,16,17,21,22)
• InChIKey: ABGILUCFMLPATR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.636906
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.200492
• LogD (pH = 7.4): -1.199921
• Log P: -1.1974013
• Molar Refractivity: 90.6483 cm^3
• Polarizability: 30.233927 Å^3
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -1.01
• LOG S: -1.89
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 7