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

• ChemBase ID: 323748
• Molecular Formular: C19H23N7
• Molecular Mass: 349.43282
• Monoisotopic Mass: 349.20149377
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCCCn1nnc2c1cccc2)CC
• Canonical SMILES: CCc1cc(NCCCn2nnc3c2cccc3)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C19H23N7/c1-4-15-12-18(26-19(21-15)13(2)14(3)23-26)20-10-7-11-25-17-9-6-5-8-16(17)22-24-25/h5-6,8-9,12,20H,4,7,10-11H2,1-3H3
• InChIKey: AJWWYCSOAJVKAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.0048044
• LogD (pH = 7.4): 3.0051281
• Log P: 3.0051324
• Molar Refractivity: 124.2423 cm^3
• Polarizability: 39.129704 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.83
• LOG S: -6.13
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6