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

• ChemBase ID: 644271
• Molecular Formular: C15H21N5OS
• Molecular Mass: 319.42514
• Monoisotopic Mass: 319.14668132
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N(CCc1c(ncs1)C)C
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)N(CCc1scnc1C)C
• InChI: InChI=1S/C15H21N5OS/c1-11-14(22-10-16-11)4-5-19(3)15(21)13-8-12-9-18(2)6-7-20(12)17-13/h8,10H,4-7,9H2,1-3H3
• InChIKey: QLBKCHPPDSFULB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.22242783
• LogD (pH = 7.4): 0.6993493
• Log P: 0.71055824
• Molar Refractivity: 98.9744 cm^3
• Polarizability: 32.748425 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.04
• LOG S: -2.8
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 4