N-[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

• ChemBase ID: 602818
• Molecular Formular: C12H17N5O2
• Molecular Mass: 263.29568
• Monoisotopic Mass: 263.13822481
• SMILES: n1(nc(cc1C)C)CC(NC(=O)c1nonc1C)C
• Canonical SMILES: CC(Cn1nc(cc1C)C)NC(=O)c1nonc1C
• InChI: InChI=1S/C12H17N5O2/c1-7-5-9(3)17(14-7)6-8(2)13-12(18)11-10(4)15-19-16-11/h5,8H,6H2,1-4H3,(H,13,18)
• InChIKey: MEZKVYZIWMUMTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• IUPAC Traditional name: N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.811199
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1277534
• LogD (pH = 7.4): 0.13066305
• Log P: 0.1307154
• Molar Refractivity: 81.7756 cm^3
• Polarizability: 25.598541 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.47
• LOG S: -3.33
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 4