1-cyclohexyl-4-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperazine

• ChemBase ID: 685866
• Molecular Formular: C23H29N5
• Molecular Mass: 375.50986
• Monoisotopic Mass: 375.24229595
• SMILES: c12c(cnn1cc(cn2)CN1CCN(CC1)C1CCCCC1)c1ccccc1
• Canonical SMILES: C1CCC(CC1)N1CCN(CC1)Cc1cnc2n(c1)ncc2c1ccccc1
• InChI: InChI=1S/C23H29N5/c1-3-7-20(8-4-1)22-16-25-28-18-19(15-24-23(22)28)17-26-11-13-27(14-12-26)21-9-5-2-6-10-21/h1,3-4,7-8,15-16,18,21H,2,5-6,9-14,17H2
• InChIKey: WSUXRLFQFZANQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperazine
• IUPAC Traditional name: 1-cyclohexyl-4-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)piperazine
• Synonyms: 6-[(4-cyclohexylpiperazin-1-yl)methyl]-3-phenylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.63481236
• LogD (pH = 7.4): 2.173095
• Log P: 3.8879848
• Molar Refractivity: 124.5168 cm^3
• Polarizability: 45.25543 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.07
• LOG S: -2.7
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4