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

• ChemBase ID: 421253
• Molecular Formular: C18H21ClN4O3
• Molecular Mass: 376.83734
• Monoisotopic Mass: 376.13021823
• SMILES: c1(nn2c(c1)CN(Cc1c(c(c(cc1)OC)O)Cl)CC2)C(=O)NC1CC1
• Canonical SMILES: COc1ccc(c(c1O)Cl)CN1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C18H21ClN4O3/c1-26-15-5-2-11(16(19)17(15)24)9-22-6-7-23-13(10-22)8-14(21-23)18(25)20-12-3-4-12/h2,5,8,12,24H,3-4,6-7,9-10H2,1H3,(H,20,25)
• InChIKey: URPPJFFRAXPEHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.421986
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8577467
• LogD (pH = 7.4): 1.8445255
• Log P: 1.8839912
• Molar Refractivity: 110.0884 cm^3
• Polarizability: 37.530792 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: 1.44
• LOG S: -3.18
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 5