N-{2-[ethyl(methyl)amino]butyl}-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 446276
• Molecular Formular: C19H25N5
• Molecular Mass: 323.4353
• Monoisotopic Mass: 323.21099583
• SMILES: n12c(nc(cc1NCC(N(CC)C)CC)c1ccccc1)ccn2
• Canonical SMILES: CCC(N(CC)C)CNc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C19H25N5/c1-4-16(23(3)5-2)14-20-19-13-17(15-9-7-6-8-10-15)22-18-11-12-21-24(18)19/h6-13,16,20H,4-5,14H2,1-3H3
• InChIKey: ZRZVMMYKQZBBFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[ethyl(methyl)amino]butyl}-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{2-[ethyl(methyl)amino]butyl}-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N~2~-ethyl-N~2~-methyl-N~1~-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-butanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14283878
• LogD (pH = 7.4): 1.3001821
• Log P: 3.5626674
• Molar Refractivity: 109.6954 cm^3
• Polarizability: 38.94649 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.74
• LOG S: -3.75
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 7