4-[1-(2-methoxyphenyl)-1H-pyrazole-4-carbonyl]-2-phenylmorpholine

• ChemBase ID: 824507
• Molecular Formular: C21H21N3O3
• Molecular Mass: 363.40974
• Monoisotopic Mass: 363.15829155
• SMILES: c1(C(=O)N2CC(OCC2)c2ccccc2)cn(nc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1n1ncc(c1)C(=O)N1CCOC(C1)c1ccccc1
• InChI: InChI=1S/C21H21N3O3/c1-26-19-10-6-5-9-18(19)24-14-17(13-22-24)21(25)23-11-12-27-20(15-23)16-7-3-2-4-8-16/h2-10,13-14,20H,11-12,15H2,1H3
• InChIKey: YGXIWRICRTVNNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-methoxyphenyl)-1H-pyrazole-4-carbonyl]-2-phenylmorpholine
• IUPAC Traditional name: 4-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2-phenylmorpholine
• Synonyms: 4-{[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-2-phenylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.76512
• LogD (pH = 7.4): 2.765125
• Log P: 2.7651253
• Molar Refractivity: 103.112 cm^3
• Polarizability: 39.68211 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.62
• LOG S: -4.09
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 4