1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(trifluoromethyl)piperidine

• ChemBase ID: 738733
• Molecular Formular: C15H19F3N4
• Molecular Mass: 312.3333696
• Monoisotopic Mass: 312.15618129
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)N1CCC(C(F)(F)F)CC1
• Canonical SMILES: CC(c1cc(N2CCC(CC2)C(F)(F)F)n2c(n1)ccn2)C
• InChI: InChI=1S/C15H19F3N4/c1-10(2)12-9-14(22-13(20-12)3-6-19-22)21-7-4-11(5-8-21)15(16,17)18/h3,6,9-11H,4-5,7-8H2,1-2H3
• InChIKey: IPSANYBMVYPECI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-(trifluoromethyl)piperidine
• IUPAC Traditional name: 1-{5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}-4-(trifluoromethyl)piperidine
• Synonyms: 5-isopropyl-7-[4-(trifluoromethyl)-1-piperidinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6398337
• LogD (pH = 7.4): 3.6398787
• Log P: 3.6398792
• Molar Refractivity: 88.7969 cm^3
• Polarizability: 28.569778 Å^3
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.87
• LOG S: -3.93
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 3