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

• ChemBase ID: 530723
• Molecular Formular: C13H13N5O
• Molecular Mass: 255.27522
• Monoisotopic Mass: 255.11201006
• SMILES: c1(nn(c2c1cccc2)C)NC(=O)Cn1cncc1
• Canonical SMILES: O=C(Nc1nn(c2c1cccc2)C)Cn1cncc1
• InChI: InChI=1S/C13H13N5O/c1-17-11-5-3-2-4-10(11)13(16-17)15-12(19)8-18-7-6-14-9-18/h2-7,9H,8H2,1H3,(H,15,16,19)
• InChIKey: YSPCMRDKPGKURR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.14999
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5081245
• LogD (pH = 7.4): 0.9724867
• Log P: 1.0319325
• Molar Refractivity: 83.816 cm^3
• Polarizability: 27.689444 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.66
• LOG S: -1.63
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3