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

• ChemBase ID: 497356
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(C(=O)N2CCN(CC2)CCOC)cn(nc1)c1c(OC)cccc1
• Canonical SMILES: COCCN1CCN(CC1)C(=O)c1cnn(c1)c1ccccc1OC
• InChI: InChI=1S/C18H24N4O3/c1-24-12-11-20-7-9-21(10-8-20)18(23)15-13-19-22(14-15)16-5-3-4-6-17(16)25-2/h3-6,13-14H,7-12H2,1-2H3
• InChIKey: SAIBIMBHHQKKIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.1671818
• LogD (pH = 7.4): 0.9302499
• Log P: 0.99952954
• Molar Refractivity: 96.8483 cm^3
• Polarizability: 37.14919 Å^3
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.77
• LOG S: -2.37
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6