1-ethyl-N-[1-(methoxymethyl)cyclopentyl]-3-methyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 863350
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: c1(C(=O)NC2(COC)CCCC2)c(nn(c1)CC)C
• Canonical SMILES: COCC1(CCCC1)NC(=O)c1cn(nc1C)CC
• InChI: InChI=1S/C14H23N3O2/c1-4-17-9-12(11(2)16-17)13(18)15-14(10-19-3)7-5-6-8-14/h9H,4-8,10H2,1-3H3,(H,15,18)
• InChIKey: YVTOOESXTZFRST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[1-(methoxymethyl)cyclopentyl]-3-methyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 1-ethyl-N-[1-(methoxymethyl)cyclopentyl]-3-methylpyrazole-4-carboxamide
• Synonyms: 1-ethyl-N-[1-(methoxymethyl)cyclopentyl]-3-methyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.36
• LOG S: -2.3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5

JChem

• H Donor: 1
• LogD (pH = 5.5): 1.1949593
• LogD (pH = 7.4): 1.1950935
• Log P: 1.1950954
• Molar Refractivity: 85.6229 cm^3
• Polarizability: 28.211601 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.683593
• H Acceptors: 3