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

• ChemBase ID: 689207
• Molecular Formular: C17H19N5
• Molecular Mass: 293.36626
• Monoisotopic Mass: 293.16404563
• SMILES: c12c(cnn1cc(cn2)CN1CC(CC1)N)c1ccccc1
• Canonical SMILES: NC1CCN(C1)Cc1cnc2n(c1)ncc2c1ccccc1
• InChI: InChI=1S/C17H19N5/c18-15-6-7-21(12-15)10-13-8-19-17-16(9-20-22(17)11-13)14-4-2-1-3-5-14/h1-5,8-9,11,15H,6-7,10,12,18H2
• InChIKey: JKCQQDRSHAJKIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)pyrrolidin-3-amine
• Synonyms: 1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1054933
• LogD (pH = 7.4): -0.7659879
• Log P: 1.3928128
• Molar Refractivity: 97.9689 cm^3
• Polarizability: 34.916573 Å^3
• Polar Surface Area: 59.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.11
• LOG S: -0.43
• Polar Surface Area: 59.45 Å^2
• Rotatable Bonds: 3