5-methyl-N-[4-(pyrrolidin-1-yl)butyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 481954
• Molecular Formular: C15H23N5
• Molecular Mass: 273.37662
• Monoisotopic Mass: 273.19534576
• SMILES: n12c(nc(cc1NCCCCN1CCCC1)C)ccn2
• Canonical SMILES: Cc1cc(NCCCCN2CCCC2)n2c(n1)ccn2
• InChI: InChI=1S/C15H23N5/c1-13-12-15(20-14(18-13)6-8-17-20)16-7-2-3-9-19-10-4-5-11-19/h6,8,12,16H,2-5,7,9-11H2,1H3
• InChIKey: BNELIMHMUOJBFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[4-(pyrrolidin-1-yl)butyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-[4-(pyrrolidin-1-yl)butyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1189673
• LogD (pH = 7.4): -1.2773676
• Log P: 1.3481764
• Molar Refractivity: 92.8823 cm^3
• Polarizability: 30.814356 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.39
• LOG S: -2.23
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 6