N-[1-(methoxymethyl)cyclopentyl]-2-(trimethyl-1H-pyrazol-1-yl)acetamide

• ChemBase ID: 549284
• Molecular Formular: C15H25N3O2
• Molecular Mass: 279.3779
• Monoisotopic Mass: 279.19467706
• SMILES: n1(nc(c(c1C)C)C)CC(=O)NC1(COC)CCCC1
• Canonical SMILES: COCC1(CCCC1)NC(=O)Cn1nc(c(c1C)C)C
• InChI: InChI=1S/C15H25N3O2/c1-11-12(2)17-18(13(11)3)9-14(19)16-15(10-20-4)7-5-6-8-15/h5-10H2,1-4H3,(H,16,19)
• InChIKey: LKZIBYLWRMTZFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-2-(trimethyl-1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-2-(trimethylpyrazol-1-yl)acetamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.563963
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3694221
• LogD (pH = 7.4): 1.371642
• Log P: 1.3716706
• Molar Refractivity: 89.8936 cm^3
• Polarizability: 30.17963 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.56
• LOG S: -2.57
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5