N-[2-(dimethylamino)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 499291
• Molecular Formular: C11H19N5O
• Molecular Mass: 237.30146
• Monoisotopic Mass: 237.15896025
• SMILES: c1(nn2c(c1)CNCC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CNCC2)C
• InChI: InChI=1S/C11H19N5O/c1-15(2)5-4-13-11(17)10-7-9-8-12-3-6-16(9)14-10/h7,12H,3-6,8H2,1-2H3,(H,13,17)
• InChIKey: PYHOICUFTFVHBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.046564
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.410212
• LogD (pH = 7.4): -2.1700022
• Log P: -0.81325793
• Molar Refractivity: 77.7401 cm^3
• Polarizability: 25.125423 Å^3
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -2.18
• LOG S: -0.38
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 4