N-(1-ethyl-1H-indazol-3-yl)-2-(1H-imidazol-1-yl)acetamide

• ChemBase ID: 735125
• Molecular Formular: C14H15N5O
• Molecular Mass: 269.3018
• Monoisotopic Mass: 269.12766013
• SMILES: c1(nn(c2c1cccc2)CC)NC(=O)Cn1cncc1
• Canonical SMILES: CCn1nc(c2c1cccc2)NC(=O)Cn1cncc1
• InChI: InChI=1S/C14H15N5O/c1-2-19-12-6-4-3-5-11(12)14(17-19)16-13(20)9-18-8-7-15-10-18/h3-8,10H,2,9H2,1H3,(H,16,17,20)
• InChIKey: RYKUYANRRVTJHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-1H-indazol-3-yl)-2-(1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-(1-ethylindazol-3-yl)-2-(imidazol-1-yl)acetamide
• Synonyms: N-(1-ethyl-1H-indazol-3-yl)-2-(1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.148993
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.86493254
• LogD (pH = 7.4): 1.3292944
• Log P: 1.3887405
• Molar Refractivity: 88.5646 cm^3
• Polarizability: 29.531353 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.19
• LOG S: -2.18
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4