N-[2-(2-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 624680
• Molecular Formular: C19H20FN5O
• Molecular Mass: 353.3934032
• Monoisotopic Mass: 353.16518851
• SMILES: c1(nn2c(c1)nccc2)C(=O)NCC(c1c(F)cccc1)N1CCCC1
• Canonical SMILES: O=C(c1nn2c(c1)nccc2)NCC(c1ccccc1F)N1CCCC1
• InChI: InChI=1S/C19H20FN5O/c20-15-7-2-1-6-14(15)17(24-9-3-4-10-24)13-22-19(26)16-12-18-21-8-5-11-25(18)23-16/h1-2,5-8,11-12,17H,3-4,9-10,13H2,(H,22,26)
• InChIKey: DNXGVXUBTWQPLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(2-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.897154
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6837816
• LogD (pH = 7.4): 2.2186763
• Log P: 2.4645233
• Molar Refractivity: 107.436 cm^3
• Polarizability: 36.344486 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.65
• LOG S: -2.33
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5