N-(2-hydroxyethyl)-5-(1-phenylcyclopropanecarbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 606454
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: C1(C(=O)N2Cc3n(nc(c3)C(=O)NCCO)CC2)(CC1)c1ccccc1
• Canonical SMILES: OCCNC(=O)c1nn2c(c1)CN(CC2)C(=O)C1(CC1)c1ccccc1
• InChI: InChI=1S/C19H22N4O3/c24-11-8-20-17(25)16-12-15-13-22(9-10-23(15)21-16)18(26)19(6-7-19)14-4-2-1-3-5-14/h1-5,12,24H,6-11,13H2,(H,20,25)
• InChIKey: HKRAMUBCDYJFEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-5-(1-phenylcyclopropanecarbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-5-(1-phenylcyclopropanecarbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-(2-hydroxyethyl)-5-[(1-phenylcyclopropyl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.018551
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5575514
• LogD (pH = 7.4): 0.5575522
• Log P: 0.55755234
• Molar Refractivity: 107.5744 cm^3
• Polarizability: 36.545406 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.38
• LOG S: -2.96
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 5