5-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 466649
• Molecular Formular: C17H19N5
• Molecular Mass: 293.36626
• Monoisotopic Mass: 293.16404563
• SMILES: n12c(nc(cc1NCC1NCCC1)c1ccccc1)ccn2
• Canonical SMILES: C1CNC(C1)CNc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C17H19N5/c1-2-5-13(6-3-1)15-11-17(19-12-14-7-4-9-18-14)22-16(21-15)8-10-20-22/h1-3,5-6,8,10-11,14,18-19H,4,7,9,12H2
• InChIKey: RXDXCXJOCJSEMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-phenyl-N-(2-pyrrolidinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8867527
• LogD (pH = 7.4): -0.5687397
• Log P: 2.3492785
• Molar Refractivity: 97.9205 cm^3
• Polarizability: 34.51367 Å^3
• Polar Surface Area: 54.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.36
• LOG S: -2.35
• Polar Surface Area: 54.25 Å^2
• Rotatable Bonds: 4