diethyl({[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-6-yl]methyl})amine

• ChemBase ID: 605955
• Molecular Formular: C16H23N5O
• Molecular Mass: 301.38672
• Monoisotopic Mass: 301.19026038
• SMILES: c1(c2n(nc1)cc(cn2)CN(CC)CC)C(=O)N1CCCC1
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)N1CCCC1)CC
• InChI: InChI=1S/C16H23N5O/c1-3-19(4-2)11-13-9-17-15-14(10-18-21(15)12-13)16(22)20-7-5-6-8-20/h9-10,12H,3-8,11H2,1-2H3
• InChIKey: BZSHBXXEOLGAHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-6-yl]methyl})amine
• IUPAC Traditional name: diethyl({[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-6-yl]methyl})amine
• Synonyms: N-ethyl-N-{[3-(pyrrolidin-1-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-6-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8128289
• LogD (pH = 7.4): -0.052401744
• Log P: 1.0117751
• Molar Refractivity: 98.2263 cm^3
• Polarizability: 32.60111 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.97
• LOG S: -1.88
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 5