N-(1-{1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl}-1H-pyrazol-5-yl)cyclopropanecarboxamide

• ChemBase ID: 353320
• Molecular Formular: C19H23ClN4O2
• Molecular Mass: 374.86452
• Monoisotopic Mass: 374.15095368
• SMILES: c1(n(ncc1)C1CCN(Cc2c(ccc(c2)Cl)O)CC1)NC(=O)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccnn1C1CCN(CC1)Cc1cc(Cl)ccc1O
• InChI: InChI=1S/C19H23ClN4O2/c20-15-3-4-17(25)14(11-15)12-23-9-6-16(7-10-23)24-18(5-8-21-24)22-19(26)13-1-2-13/h3-5,8,11,13,16,25H,1-2,6-7,9-10,12H2,(H,22,26)
• InChIKey: YCBINTNOEGBYFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl}-1H-pyrazol-5-yl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(2-{1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl}pyrazol-3-yl)cyclopropanecarboxamide
• Synonyms: N-{1-[1-(5-chloro-2-hydroxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.678086
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.18434449
• LogD (pH = 7.4): 1.4484364
• Log P: 1.7091041
• Molar Refractivity: 113.3263 cm^3
• Polarizability: 38.81722 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.17
• LOG S: -5.09
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 5