N-[1-(methoxymethyl)cyclopentyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 661558
• Molecular Formular: C15H25N3O2
• Molecular Mass: 279.3779
• Monoisotopic Mass: 279.19467706
• SMILES: c1(c(n(nc1)CCC)C)C(=O)NC1(COC)CCCC1
• Canonical SMILES: CCCn1ncc(c1C)C(=O)NC1(COC)CCCC1
• InChI: InChI=1S/C15H25N3O2/c1-4-9-18-12(2)13(10-16-18)14(19)17-15(11-20-3)7-5-6-8-15/h10H,4-9,11H2,1-3H3,(H,17,19)
• InChIKey: DBOOWOLZYIYUCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-5-methyl-1-propylpyrazole-4-carboxamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.955397
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7857646
• LogD (pH = 7.4): 1.7858083
• Log P: 1.7858089
• Molar Refractivity: 90.7051 cm^3
• Polarizability: 30.049349 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.89
• LOG S: -2.85
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6