N-[1-(1-cyclopropylethyl)-4-methyl-1H-pyrazol-5-yl]-3-hydroxypyridine-2-carboxamide

• ChemBase ID: 839907
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(n(ncc1C)C(C1CC1)C)NC(=O)c1ncccc1O
• Canonical SMILES: Cc1cnn(c1NC(=O)c1ncccc1O)C(C1CC1)C
• InChI: InChI=1S/C15H18N4O2/c1-9-8-17-19(10(2)11-5-6-11)14(9)18-15(21)13-12(20)4-3-7-16-13/h3-4,7-8,10-11,20H,5-6H2,1-2H3,(H,18,21)
• InChIKey: SZTNKHGVGHHJQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclopropylethyl)-4-methyl-1H-pyrazol-5-yl]-3-hydroxypyridine-2-carboxamide
• IUPAC Traditional name: N-[2-(1-cyclopropylethyl)-4-methylpyrazol-3-yl]-3-hydroxypyridine-2-carboxamide
• Synonyms: N-[1-(1-cyclopropylethyl)-4-methyl-1H-pyrazol-5-yl]-3-hydroxypyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Donor: 2
• LogD (pH = 5.5): 2.149924
• LogD (pH = 7.4): 1.7890037
• Log P: 2.1574678
• Molar Refractivity: 90.6022 cm^3
• Polarizability: 29.64887 Å^3
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 7.2500067
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 2
• Log P: 2.34
• LOG S: -3.29
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4