{4-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]phenyl}methanol

• ChemBase ID: 697543
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: c1(C(=O)N2CCCC2)nc(c2ccc(cc2)CO)cnc1
• Canonical SMILES: OCc1ccc(cc1)c1cncc(n1)C(=O)N1CCCC1
• InChI: InChI=1S/C16H17N3O2/c20-11-12-3-5-13(6-4-12)14-9-17-10-15(18-14)16(21)19-7-1-2-8-19/h3-6,9-10,20H,1-2,7-8,11H2
• InChIKey: DOWRDBVEMYSSPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]phenyl}methanol
• IUPAC Traditional name: {4-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]phenyl}methanol
• Synonyms: {4-[6-(pyrrolidin-1-ylcarbonyl)pyrazin-2-yl]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.929536
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8932669
• LogD (pH = 7.4): 0.8932671
• Log P: 0.8932671
• Molar Refractivity: 79.3651 cm^3
• Polarizability: 31.419405 Å^3
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.23
• LOG S: -2.77
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 3