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

• ChemBase ID: 316255
• Molecular Formular: C17H24N6
• Molecular Mass: 312.41266
• Monoisotopic Mass: 312.2062448
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)NC(Cn1nc(cc1C)C)C
• Canonical SMILES: CC(Nc1cc(nc2n1ncc2)C(C)C)Cn1nc(cc1C)C
• InChI: InChI=1S/C17H24N6/c1-11(2)15-9-17(23-16(20-15)6-7-18-23)19-13(4)10-22-14(5)8-12(3)21-22/h6-9,11,13,19H,10H2,1-5H3
• InChIKey: IFEFEZHHNAIPDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5640135
• LogD (pH = 7.4): 2.5669835
• Log P: 2.5670216
• Molar Refractivity: 114.166 cm^3
• Polarizability: 34.33757 Å^3
• Polar Surface Area: 60.04 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: 3.23
• LOG S: -4.24
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5