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

• ChemBase ID: 571845
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)NCCc1cc(c(cc1)O)OC
• Canonical SMILES: COc1cc(CCNC(=O)c2nn3c(c2)CN(CC3)C)ccc1O
• InChI: InChI=1S/C17H22N4O3/c1-20-7-8-21-13(11-20)10-14(19-21)17(23)18-6-5-12-3-4-15(22)16(9-12)24-2/h3-4,9-10,22H,5-8,11H2,1-2H3,(H,18,23)
• InChIKey: QHFIQYCEWBIXAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.945105
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.61465436
• LogD (pH = 7.4): 1.09059
• Log P: 1.1030432
• Molar Refractivity: 102.8274 cm^3
• Polarizability: 34.48192 Å^3
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.65
• LOG S: -2.17
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 5