3-[4-(6-methoxypyridin-3-yl)-3,5-dimethyl-1H-pyrazol-1-yl]propanamide

• ChemBase ID: 534379
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: n1n(c(c(c1C)c1cnc(cc1)OC)C)CCC(=O)N
• Canonical SMILES: COc1ccc(cn1)c1c(C)nn(c1C)CCC(=O)N
• InChI: InChI=1S/C14H18N4O2/c1-9-14(11-4-5-13(20-3)16-8-11)10(2)18(17-9)7-6-12(15)19/h4-5,8H,6-7H2,1-3H3,(H2,15,19)
• InChIKey: FVYWNKNYVRGNPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(6-methoxypyridin-3-yl)-3,5-dimethyl-1H-pyrazol-1-yl]propanamide
• IUPAC Traditional name: 3-[4-(6-methoxypyridin-3-yl)-3,5-dimethylpyrazol-1-yl]propanamide
• Synonyms: 3-[4-(6-methoxypyridin-3-yl)-3,5-dimethyl-1H-pyrazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.90684
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.50471836
• LogD (pH = 7.4): 0.5064084
• Log P: 0.50643
• Molar Refractivity: 87.0648 cm^3
• Polarizability: 29.962872 Å^3
• Polar Surface Area: 83.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.11
• LOG S: -2.15
• Polar Surface Area: 83.03 Å^2
• Rotatable Bonds: 5