N-[1-methyl-3-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrazol-5-yl]-2-phenoxypropanamide

• ChemBase ID: 313804
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(cc(nn1C)C1=CCCN(C1)C)NC(=O)C(Oc1ccccc1)C
• Canonical SMILES: CN1CCC=C(C1)c1nn(c(c1)NC(=O)C(Oc1ccccc1)C)C
• InChI: InChI=1S/C19H24N4O2/c1-14(25-16-9-5-4-6-10-16)19(24)20-18-12-17(21-23(18)3)15-8-7-11-22(2)13-15/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,20,24)
• InChIKey: LFDBLBKNXIJYDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-methyl-3-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrazol-5-yl]-2-phenoxypropanamide
• IUPAC Traditional name: N-[2-methyl-5-(1-methyl-5,6-dihydro-2H-pyridin-3-yl)pyrazol-3-yl]-2-phenoxypropanamide
• Synonyms: N-[1-methyl-3-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrazol-5-yl]-2-phenoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.650876
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.40175968
• LogD (pH = 7.4): 2.1052184
• Log P: 2.5767996
• Molar Refractivity: 110.5734 cm^3
• Polarizability: 37.569145 Å^3
• Polar Surface Area: 59.39 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: 2.15
• LOG S: -3.52
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5