N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 448613
• Molecular Formular: C17H19N7
• Molecular Mass: 321.37966
• Monoisotopic Mass: 321.17019364
• SMILES: n12c(nc(cc1NCCCn1nnc3c1cccc3)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2NCCCn1nnc2c1cccc2)C
• InChI: InChI=1S/C17H19N7/c1-12-10-16(24-17(19-12)11-13(2)21-24)18-8-5-9-23-15-7-4-3-6-14(15)20-22-23/h3-4,6-7,10-11,18H,5,8-9H2,1-2H3
• InChIKey: AAHYYEJWAWJOGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[3-(1,2,3-benzotriazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7907816
• LogD (pH = 7.4): 1.7911701
• Log P: 1.7911751
• Molar Refractivity: 114.5742 cm^3
• Polarizability: 35.52573 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.84
• LOG S: -5.08
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 5