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

• ChemBase ID: 454361
• Molecular Formular: C15H22N6O
• Molecular Mass: 302.37478
• Monoisotopic Mass: 302.18550935
• SMILES: c1(nn2c(c1)CNCC2)C(=O)NCC(n1nc(cc1C)C)C
• Canonical SMILES: Cc1nn(c(c1)C)C(CNC(=O)c1nn2c(c1)CNCC2)C
• InChI: InChI=1S/C15H22N6O/c1-10-6-11(2)21(18-10)12(3)8-17-15(22)14-7-13-9-16-4-5-20(13)19-14/h6-7,12,16H,4-5,8-9H2,1-3H3,(H,17,22)
• InChIKey: PWZUAVILFIASJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.037733
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.566801
• LogD (pH = 7.4): -0.072424665
• Log P: 0.14518502
• Molar Refractivity: 106.8734 cm^3
• Polarizability: 31.69114 Å^3
• Polar Surface Area: 76.77 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: -2.78
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 4