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

• ChemBase ID: 710412
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1(nc(cc1C)C)C(CNC(=O)CCc1nc2c(nc1O)cccc2)C
• Canonical SMILES: O=C(CCc1nc2ccccc2nc1O)NCC(n1nc(cc1C)C)C
• InChI: InChI=1S/C19H23N5O2/c1-12-10-13(2)24(23-12)14(3)11-20-18(25)9-8-17-19(26)22-16-7-5-4-6-15(16)21-17/h4-7,10,14H,8-9,11H2,1-3H3,(H,20,25)(H,22,26)
• InChIKey: RPMQFIUHHTZVHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.039252
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.9372209
• LogD (pH = 7.4): 1.9398906
• Log P: 1.9400244
• Molar Refractivity: 109.1009 cm^3
• Polarizability: 38.842525 Å^3
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.27
• LOG S: -3.72
• Polar Surface Area: 92.93 Å^2
• Rotatable Bonds: 6