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

• ChemBase ID: 400110
• Molecular Formular: C17H25N5OS
• Molecular Mass: 347.4783
• Monoisotopic Mass: 347.17798145
• SMILES: c1(nn2c(c1)CN(Cc1sc(cc1)C)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)Cc1ccc(s1)C)C
• InChI: InChI=1S/C17H25N5OS/c1-13-4-5-15(24-13)12-21-8-9-22-14(11-21)10-16(19-22)17(23)18-6-7-20(2)3/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,23)
• InChIKey: FONDSBBTGLLFFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.045842
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.681098
• LogD (pH = 7.4): 0.6954619
• Log P: 1.8530053
• Molar Refractivity: 109.5936 cm^3
• Polarizability: 36.969246 Å^3
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.86
• LOG S: -3.32
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 6