N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 649565
• Molecular Formular: C21H24N4O3
• Molecular Mass: 380.44026
• Monoisotopic Mass: 380.18484065
• SMILES: c1(c2n(nc1)cc(cn2)CCO)C(=O)N(C1CC1)Cc1ccc(cc1)OCC
• Canonical SMILES: OCCc1cnc2n(c1)ncc2C(=O)N(C1CC1)Cc1ccc(cc1)OCC
• InChI: InChI=1S/C21H24N4O3/c1-2-28-18-7-3-15(4-8-18)13-24(17-5-6-17)21(27)19-12-23-25-14-16(9-10-26)11-22-20(19)25/h3-4,7-8,11-12,14,17,26H,2,5-6,9-10,13H2,1H3
• InChIKey: IYADBIMKEHHYHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-cyclopropyl-N-(4-ethoxybenzyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.726042
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8614476
• LogD (pH = 7.4): 1.8614508
• Log P: 1.8614508
• Molar Refractivity: 117.2519 cm^3
• Polarizability: 40.055782 Å^3
• Polar Surface Area: 79.96 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.82
• LOG S: -3.52
• Polar Surface Area: 79.96 Å^2
• Rotatable Bonds: 8