N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 772569
• Molecular Formular: C14H17N7O
• Molecular Mass: 299.33108
• Monoisotopic Mass: 299.1494582
• SMILES: n1(nc(cc1C)C)C(CNC(=O)c1cc2n(nnn2)cc1)C
• Canonical SMILES: Cc1nn(c(c1)C)C(CNC(=O)c1ccn2c(c1)nnn2)C
• InChI: InChI=1S/C14H17N7O/c1-9-6-10(2)21(17-9)11(3)8-15-14(22)12-4-5-20-13(7-12)16-18-19-20/h4-7,11H,8H2,1-3H3,(H,15,22)
• InChIKey: RGQQRFPXZYRVCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.437861
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.85154766
• LogD (pH = 7.4): 0.8543008
• Log P: 0.8543364
• Molar Refractivity: 105.2783 cm^3
• Polarizability: 29.877596 Å^3
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.48
• LOG S: -1.79
• Polar Surface Area: 90.0 Å^2
• Rotatable Bonds: 4