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

• ChemBase ID: 337794
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c12c(cnn1cc(cn2)CN1C(COCC1)CCC)c1ccccc1
• Canonical SMILES: CCCC1COCCN1Cc1cnc2n(c1)ncc2c1ccccc1
• InChI: InChI=1S/C20H24N4O/c1-2-6-18-15-25-10-9-23(18)13-16-11-21-20-19(12-22-24(20)14-16)17-7-4-3-5-8-17/h3-5,7-8,11-12,14,18H,2,6,9-10,13,15H2,1H3
• InChIKey: OFDACXRDQZGZGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)-3-propylmorpholine
• IUPAC Traditional name: 4-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)-3-propylmorpholine
• Synonyms: 3-phenyl-6-[(3-propylmorpholin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0291202
• LogD (pH = 7.4): 3.2962282
• Log P: 3.4067605
• Molar Refractivity: 110.0708 cm^3
• Polarizability: 39.590816 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.82
• LOG S: -2.2
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 5