{[5-methoxy-2-(1H-pyrazol-1-yl)phenyl]methyl}(oxolan-2-ylmethyl)propylamine

• ChemBase ID: 365215
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: c1(c(n2nccc2)ccc(c1)OC)CN(CC1OCCC1)CCC
• Canonical SMILES: CCCN(Cc1cc(OC)ccc1n1cccn1)CC1CCCO1
• InChI: InChI=1S/C19H27N3O2/c1-3-10-21(15-18-6-4-12-24-18)14-16-13-17(23-2)7-8-19(16)22-11-5-9-20-22/h5,7-9,11,13,18H,3-4,6,10,12,14-15H2,1-2H3
• InChIKey: UNCJVSLUTVSCIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-methoxy-2-(1H-pyrazol-1-yl)phenyl]methyl}(oxolan-2-ylmethyl)propylamine
• IUPAC Traditional name: {[5-methoxy-2-(pyrazol-1-yl)phenyl]methyl}(oxolan-2-ylmethyl)propylamine
• Synonyms: N-[5-methoxy-2-(1H-pyrazol-1-yl)benzyl]-N-(tetrahydrofuran-2-ylmethyl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.07175441
• LogD (pH = 7.4): 1.5107044
• Log P: 3.1407092
• Molar Refractivity: 96.9529 cm^3
• Polarizability: 37.98887 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.91
• LOG S: -3.08
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 8