N-[(1-ethylpyrrolidin-2-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 741889
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: n12c(nc(cc1NCC1N(CCC1)CC)c1ccccc1)ccn2
• Canonical SMILES: CCN1CCCC1CNc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C19H23N5/c1-2-23-12-6-9-16(23)14-20-19-13-17(15-7-4-3-5-8-15)22-18-10-11-21-24(18)19/h3-5,7-8,10-11,13,16,20H,2,6,9,12,14H2,1H3
• InChIKey: AJGFUEROZICGIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.21696497
• LogD (pH = 7.4): 1.2456236
• Log P: 3.0891345
• Molar Refractivity: 107.9638 cm^3
• Polarizability: 38.206264 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.28
• LOG S: -3.34
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5