5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-propyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 784312
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: c1(c(n(nc1)CCC)C)C(=O)NCc1oc(nn1)c1ccccc1
• Canonical SMILES: CCCn1ncc(c1C)C(=O)NCc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C17H19N5O2/c1-3-9-22-12(2)14(10-19-22)16(23)18-11-15-20-21-17(24-15)13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,18,23)
• InChIKey: OXWNNSWTCPQURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-propyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-propylpyrazole-4-carboxamide
• Synonyms: 5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-propyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.350863
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.358119
• LogD (pH = 7.4): 1.3581624
• Log P: 1.3581635
• Molar Refractivity: 113.3256 cm^3
• Polarizability: 34.019333 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.9
• LOG S: -2.34
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 6