N-(1-methyl-1H-indazol-3-yl)-2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 785744
• Molecular Formular: C17H15N5OS
• Molecular Mass: 337.3989
• Monoisotopic Mass: 337.09973113
• SMILES: c1(nn(c2c1cccc2)C)NC(=O)Cn1nc(c2cscc2)cc1
• Canonical SMILES: O=C(Nc1nn(c2c1cccc2)C)Cn1ccc(n1)c1cscc1
• InChI: InChI=1S/C17H15N5OS/c1-21-15-5-3-2-4-13(15)17(20-21)18-16(23)10-22-8-6-14(19-22)12-7-9-24-11-12/h2-9,11H,10H2,1H3,(H,18,20,23)
• InChIKey: BCINFNJJEBJDCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-indazol-3-yl)-2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-(1-methylindazol-3-yl)-2-[3-(thiophen-3-yl)pyrazol-1-yl]acetamide
• Synonyms: N-(1-methyl-1H-indazol-3-yl)-2-[3-(3-thienyl)-1H-pyrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.128931
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1680357
• LogD (pH = 7.4): 3.1680262
• Log P: 3.1681042
• Molar Refractivity: 116.7379 cm^3
• Polarizability: 37.29664 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: 2.92
• LOG S: -4.15
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4