N-(2-methoxyethyl)-4-(1H-pyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 496452
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: C(=O)(N(Cc1ccncc1)CCOC)c1ccc(c2n[nH]cc2)cc1
• Canonical SMILES: COCCN(C(=O)c1ccc(cc1)c1n[nH]cc1)Cc1ccncc1
• InChI: InChI=1S/C19H20N4O2/c1-25-13-12-23(14-15-6-9-20-10-7-15)19(24)17-4-2-16(3-5-17)18-8-11-21-22-18/h2-11H,12-14H2,1H3,(H,21,22)
• InChIKey: JDPBDIUEVRMMSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-4-(1H-pyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-4-(1H-pyrazol-3-yl)-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-(2-methoxyethyl)-4-(1H-pyrazol-3-yl)-N-(4-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.759025
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9585743
• LogD (pH = 7.4): 2.0667017
• Log P: 2.0683231
• Molar Refractivity: 96.8806 cm^3
• Polarizability: 37.668606 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.64
• LOG S: -0.9
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 7