N1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pentane-1,5-diamine

• ChemBase ID: 724473
• Molecular Formular: C14H23N5
• Molecular Mass: 261.36592
• Monoisotopic Mass: 261.19534576
• SMILES: n12c(nc(cc1NCCCCCN)C(C)C)ccn2
• Canonical SMILES: NCCCCCNc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C14H23N5/c1-11(2)12-10-14(16-8-5-3-4-7-15)19-13(18-12)6-9-17-19/h6,9-11,16H,3-5,7-8,15H2,1-2H3
• InChIKey: SNZWJJHSGQIOSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pentane-1,5-diamine
• IUPAC Traditional name: N1-{5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}pentane-1,5-diamine
• Synonyms: (5-aminopentyl)(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2091943
• LogD (pH = 7.4): -0.7893562
• Log P: 1.8148413
• Molar Refractivity: 89.0744 cm^3
• Polarizability: 29.700975 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.18
• LOG S: -1.96
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 7