1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidine

• ChemBase ID: 682758
• Molecular Formular: C11H16N4O
• Molecular Mass: 220.27094
• Monoisotopic Mass: 220.13241115
• SMILES: c1(nn2c(c1)CNCC2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nn2c(c1)CNCC2)N1CCCC1
• InChI: InChI=1S/C11H16N4O/c16-11(14-4-1-2-5-14)10-7-9-8-12-3-6-15(9)13-10/h7,12H,1-6,8H2
• InChIKey: GNEZZNPGKPBCAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidine
• IUPAC Traditional name: 1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidine
• Synonyms: 2-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9109759
• LogD (pH = 7.4): -0.41973448
• Log P: -0.20242889
• Molar Refractivity: 72.1587 cm^3
• Polarizability: 22.876677 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -2.23
• LOG S: -0.21
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 1