N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 737648
• Molecular Formular: C19H29N5
• Molecular Mass: 327.46706
• Monoisotopic Mass: 327.24229595
• SMILES: n12c(nc(cc1NCC1CN(CC1)C1CCCCC1)CC)ccn2
• Canonical SMILES: CCc1cc(NCC2CCN(C2)C2CCCCC2)n2c(n1)ccn2
• InChI: InChI=1S/C19H29N5/c1-2-16-12-19(24-18(22-16)8-10-21-24)20-13-15-9-11-23(14-15)17-6-4-3-5-7-17/h8,10,12,15,17,20H,2-7,9,11,13-14H2,1H3
• InChIKey: XRURTEQXMJIOGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(1-cyclohexyl-3-pyrrolidinyl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Log P: 2.9306133
• Molar Refractivity: 109.0226 cm^3
• Polarizability: 37.454514 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.55271596
• LogD (pH = 7.4): 0.070454784

供应商提供(Chembridge)

• Log P: 3.98
• LOG S: -3.98
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1