N-[3-(dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 722349
• Molecular Formular: C16H23N7
• Molecular Mass: 313.40072
• Monoisotopic Mass: 313.20149377
• SMILES: n12c(nc(cc1NCCCn1nc(nc1C)C)C(C)C)ccn2
• Canonical SMILES: Cc1nn(c(n1)C)CCCNc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C16H23N7/c1-11(2)14-10-16(23-15(20-14)6-8-18-23)17-7-5-9-22-13(4)19-12(3)21-22/h6,8,10-11,17H,5,7,9H2,1-4H3
• InChIKey: WIWKUWRYOGYIRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[3-(dimethyl-1,2,4-triazol-1-yl)propyl]-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9494267
• LogD (pH = 7.4): 1.9504148
• Log P: 1.9504274
• Molar Refractivity: 113.1106 cm^3
• Polarizability: 33.466427 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: 1.77
• LOG S: -3.0
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6