1-benzyl-N-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-amine

• ChemBase ID: 694424
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: n12c(cc(nc1ccn2)CC)NC1CN(Cc2ccccc2)CC1
• Canonical SMILES: CCc1cc(NC2CCN(C2)Cc2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C19H23N5/c1-2-16-12-19(24-18(21-16)8-10-20-24)22-17-9-11-23(14-17)13-15-6-4-3-5-7-15/h3-8,10,12,17,22H,2,9,11,13-14H2,1H3
• InChIKey: YXQYBRSNTMZILJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-amine
• IUPAC Traditional name: 1-benzyl-N-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-amine
• Synonyms: N-(1-benzyl-3-pyrrolidinyl)-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3473837
• LogD (pH = 7.4): 1.3289206
• Log P: 2.7382672
• Molar Refractivity: 107.6374 cm^3
• Polarizability: 36.732307 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: 3.05
• LOG S: -3.14
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 5