N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

• ChemBase ID: 465692
• Molecular Formular: C13H17N5O2
• Molecular Mass: 275.30638
• Monoisotopic Mass: 275.13822481
• SMILES: c1(c2n(nc1)ccn2C)C(=O)NCC1ON=C(C1)CC
• Canonical SMILES: CCC1=NOC(C1)CNC(=O)c1cnn2c1n(C)cc2
• InChI: InChI=1S/C13H17N5O2/c1-3-9-6-10(20-16-9)7-14-12(19)11-8-15-18-5-4-17(2)13(11)18/h4-5,8,10H,3,6-7H2,1-2H3,(H,14,19)
• InChIKey: NFXRBKNACMIOIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-methylpyrazolo[1,5-a]imidazole-7-carboxamide
• Synonyms: N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.2209835
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1740129
• LogD (pH = 7.4): 1.1804153
• Log P: 1.1804981
• Molar Refractivity: 83.5936 cm^3
• Polarizability: 27.390984 Å^3
• Polar Surface Area: 72.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.67
• LOG S: -1.77
• Polar Surface Area: 72.92 Å^2
• Rotatable Bonds: 4