N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

• ChemBase ID: 527632
• Molecular Formular: C18H24F3N5
• Molecular Mass: 367.4118696
• Monoisotopic Mass: 367.19838045
• SMILES: c1(n(ncc1)C)C(NC1CCN(c2ncc(C(F)(F)F)cc2)CC1)CC
• Canonical SMILES: CCC(c1ccnn1C)NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
• InChI: InChI=1S/C18H24F3N5/c1-3-15(16-6-9-23-25(16)2)24-14-7-10-26(11-8-14)17-5-4-13(12-22-17)18(19,20)21/h4-6,9,12,14-15,24H,3,7-8,10-11H2,1-2H3
• InChIKey: SNTYJBSSBSCTDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine
• IUPAC Traditional name: N-[1-(2-methylpyrazol-3-yl)propyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine
• Synonyms: N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.25390086
• LogD (pH = 7.4): 1.3850706
• Log P: 2.9911132
• Molar Refractivity: 107.1096 cm^3
• Polarizability: 35.294586 Å^3
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -3.53
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 6