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

• ChemBase ID: 551235
• Molecular Formular: C15H22N6O
• Molecular Mass: 302.37478
• Monoisotopic Mass: 302.18550935
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)NC(Cc1[nH]nc(c1)C)C
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)NC(Cc1[nH]nc(c1)C)C
• InChI: InChI=1S/C15H22N6O/c1-10(6-12-7-11(2)17-18-12)16-15(22)14-8-13-9-20(3)4-5-21(13)19-14/h7-8,10H,4-6,9H2,1-3H3,(H,16,22)(H,17,18)
• InChIKey: MVVNNYZHBLAWIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0930605
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.38193572
• LogD (pH = 7.4): 0.096467525
• Log P: 0.10770867
• Molar Refractivity: 97.0689 cm^3
• Polarizability: 31.767233 Å^3
• Polar Surface Area: 78.84 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: -0.08
• LOG S: -2.65
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 4