N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 353865
• Molecular Formular: C16H23N5OS
• Molecular Mass: 333.45172
• Monoisotopic Mass: 333.16233138
• SMILES: c1(nn2c(c1)CN(CC2)C(C)C)C(=O)NCc1nc(cs1)CC
• Canonical SMILES: CCc1csc(n1)CNC(=O)c1nn2c(c1)CN(CC2)C(C)C
• InChI: InChI=1S/C16H23N5OS/c1-4-12-10-23-15(18-12)8-17-16(22)14-7-13-9-20(11(2)3)5-6-21(13)19-14/h7,10-11H,4-6,8-9H2,1-3H3,(H,17,22)
• InChIKey: HUWAAOCDHLFNPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-isopropyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.764639
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.71399176
• LogD (pH = 7.4): 1.5765111
• Log P: 1.6128669
• Molar Refractivity: 102.5495 cm^3
• Polarizability: 34.582817 Å^3
• Polar Surface Area: 63.05 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: 1.74
• LOG S: -3.12
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5