5-(propan-2-yl)-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-1,3-oxazole-4-carboxamide

• ChemBase ID: 592570
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: c1(c(ocn1)C(C)C)C(=O)NCc1nn2c(c1)CNCC2
• Canonical SMILES: O=C(c1ncoc1C(C)C)NCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C14H19N5O2/c1-9(2)13-12(17-8-21-13)14(20)16-6-10-5-11-7-15-3-4-19(11)18-10/h5,8-9,15H,3-4,6-7H2,1-2H3,(H,16,20)
• InChIKey: QTQGHSKMZHQWNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-1,3-oxazole-4-carboxamide
• Synonyms: 5-isopropyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 12.5588045
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0919325
• LogD (pH = 7.4): -0.42361206
• Log P: 0.002990506
• Molar Refractivity: 88.6661 cm^3
• Polarizability: 29.13365 Å^3
• Polar Surface Area: 84.98 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 2
• Log P: -0.72
• LOG S: -2.01
• Polar Surface Area: 84.98 Å^2