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

• ChemBase ID: 518280
• Molecular Formular: C15H19N7O2
• Molecular Mass: 329.35706
• Monoisotopic Mass: 329.16002288
• SMILES: c1(n[nH]c(c1)Cn1nc(cc1C)C)C(=O)N(Cc1nonc1C)C
• Canonical SMILES: Cc1cc(n(n1)Cc1[nH]nc(c1)C(=O)N(Cc1nonc1C)C)C
• InChI: InChI=1S/C15H19N7O2/c1-9-5-10(2)22(18-9)7-12-6-13(17-16-12)15(23)21(4)8-14-11(3)19-24-20-14/h5-6H,7-8H2,1-4H3,(H,16,17)
• InChIKey: FZFJQSZFMRXKIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.114563
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.112096004
• LogD (pH = 7.4): -0.11743012
• Log P: -0.109301195
• Molar Refractivity: 100.4324 cm^3
• Polarizability: 31.932272 Å^3
• Polar Surface Area: 105.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.42
• LOG S: -1.7
• Polar Surface Area: 105.73 Å^2
• Rotatable Bonds: 5