4-(3-{3-[3-(5-methylpyridin-2-yl)phenyl]-1H-pyrazol-1-yl}propyl)morpholine

• ChemBase ID: 826034
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: n1c(ccn1CCCN1CCOCC1)c1cc(c2ncc(cc2)C)ccc1
• Canonical SMILES: Cc1ccc(nc1)c1cccc(c1)c1ccn(n1)CCCN1CCOCC1
• InChI: InChI=1S/C22H26N4O/c1-18-6-7-21(23-17-18)19-4-2-5-20(16-19)22-8-11-26(24-22)10-3-9-25-12-14-27-15-13-25/h2,4-8,11,16-17H,3,9-10,12-15H2,1H3
• InChIKey: IMATWTJYUANYLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{3-[3-(5-methylpyridin-2-yl)phenyl]-1H-pyrazol-1-yl}propyl)morpholine
• IUPAC Traditional name: 4-(3-{3-[3-(5-methylpyridin-2-yl)phenyl]pyrazol-1-yl}propyl)morpholine
• Synonyms: 4-(3-{3-[3-(5-methyl-2-pyridinyl)phenyl]-1H-pyrazol-1-yl}propyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5156535
• LogD (pH = 7.4): 3.2427404
• Log P: 3.62311
• Molar Refractivity: 119.3331 cm^3
• Polarizability: 44.298275 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.85
• LOG S: -4.12
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6