5-phenyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 582420
• Molecular Formular: C17H15N5S
• Molecular Mass: 321.3995
• Monoisotopic Mass: 321.10481651
• SMILES: n12c(nc(cc1NCCc1ncsc1)c1ccccc1)ccn2
• Canonical SMILES: c1ccc(cc1)c1cc(NCCc2cscn2)n2c(n1)ccn2
• InChI: InChI=1S/C17H15N5S/c1-2-4-13(5-3-1)15-10-17(22-16(21-15)7-9-20-22)18-8-6-14-11-23-12-19-14/h1-5,7,9-12,18H,6,8H2
• InChIKey: FNXKCMLDBVDBKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-phenyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-phenyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9494207
• LogD (pH = 7.4): 2.9498622
• Log P: 2.949868
• Molar Refractivity: 101.9831 cm^3
• Polarizability: 35.439327 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.8
• LOG S: -3.94
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5