5-ethyl-N-[3-(1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 578222
• Molecular Formular: C14H18N6
• Molecular Mass: 270.33292
• Monoisotopic Mass: 270.15929461
• SMILES: n12c(nc(cc1NCCCn1cncc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCCCn2cncc2)n2c(n1)ccn2
• InChI: InChI=1S/C14H18N6/c1-2-12-10-14(20-13(18-12)4-6-17-20)16-5-3-8-19-9-7-15-11-19/h4,6-7,9-11,16H,2-3,5,8H2,1H3
• InChIKey: BGXHWNKSLOGAGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[3-(1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-[3-(imidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-[3-(1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.48094887
• LogD (pH = 7.4): 0.94516844
• Log P: 1.0138345
• Molar Refractivity: 89.245 cm^3
• Polarizability: 28.982574 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.57
• LOG S: -2.51
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6