N4-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)morpholine-2,4-dicarboxamide

• ChemBase ID: 706098
• Molecular Formular: C15H23N5O3
• Molecular Mass: 321.37482
• Monoisotopic Mass: 321.18008962
• SMILES: c1(NC(=O)N2CC(C(=O)N)OCC2)n(ncc1C)C1CCCC1
• Canonical SMILES: NC(=O)C1OCCN(C1)C(=O)Nc1c(C)cnn1C1CCCC1
• InChI: InChI=1S/C15H23N5O3/c1-10-8-17-20(11-4-2-3-5-11)14(10)18-15(22)19-6-7-23-12(9-19)13(16)21/h8,11-12H,2-7,9H2,1H3,(H2,16,21)(H,18,22)
• InChIKey: JVVLECWWRVUOIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)morpholine-2,4-dicarboxamide
• IUPAC Traditional name: N4-(2-cyclopentyl-4-methylpyrazol-3-yl)morpholine-2,4-dicarboxamide
• Synonyms: N~4~-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)morpholine-2,4-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.726464
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3744817
• LogD (pH = 7.4): 0.3745328
• Log P: 0.37453362
• Molar Refractivity: 95.7288 cm^3
• Polarizability: 31.949297 Å^3
• Polar Surface Area: 102.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.3
• LOG S: -2.6
• Polar Surface Area: 102.48 Å^2
• Rotatable Bonds: 3