N-(1,4-dioxan-2-ylmethyl)-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 844695
• Molecular Formular: C15H24N4O3
• Molecular Mass: 308.37606
• Monoisotopic Mass: 308.18484065
• SMILES: c1(nn2c(c1)CN(CC2)C(C)C)C(=O)NCC1OCCOC1
• Canonical SMILES: CC(N1CCn2c(C1)cc(n2)C(=O)NCC1COCCO1)C
• InChI: InChI=1S/C15H24N4O3/c1-11(2)18-3-4-19-12(9-18)7-14(17-19)15(20)16-8-13-10-21-5-6-22-13/h7,11,13H,3-6,8-10H2,1-2H3,(H,16,20)
• InChIKey: ZNORWGPGWOEDFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,4-dioxan-2-ylmethyl)-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(1,4-dioxan-2-ylmethyl)-5-isopropyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-(1,4-dioxan-2-ylmethyl)-5-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.026636
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.78002405
• LogD (pH = 7.4): 0.08245692
• Log P: 0.118819594
• Molar Refractivity: 93.9713 cm^3
• Polarizability: 31.657375 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.07
• LOG S: -2.7
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 4