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

• ChemBase ID: 573665
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: c1([nH]nc(c1)CCC)C(=O)NCc1nc(no1)C1CCCCC1
• Canonical SMILES: CCCc1cc([nH]n1)C(=O)NCc1onc(n1)C1CCCCC1
• InChI: InChI=1S/C16H23N5O2/c1-2-6-12-9-13(20-19-12)16(22)17-10-14-18-15(21-23-14)11-7-4-3-5-8-11/h9,11H,2-8,10H2,1H3,(H,17,22)(H,19,20)
• InChIKey: RMJSSNANQDDIRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.789985
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.639595
• LogD (pH = 7.4): 2.6380243
• Log P: 2.639742
• Molar Refractivity: 87.7997 cm^3
• Polarizability: 32.263145 Å^3
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.7
• LOG S: -2.97
• Polar Surface Area: 96.7 Å^2
• Rotatable Bonds: 6