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

• ChemBase ID: 712593
• Molecular Formular: C19H19N5OS
• Molecular Mass: 365.45206
• Monoisotopic Mass: 365.13103125
• SMILES: c1(nn(c2c1cccc2)CCC)NC(=O)Cn1nc(c2cscc2)cc1
• Canonical SMILES: CCCn1nc(c2c1cccc2)NC(=O)Cn1ccc(n1)c1cscc1
• InChI: InChI=1S/C19H19N5OS/c1-2-9-24-17-6-4-3-5-15(17)19(22-24)20-18(25)12-23-10-7-16(21-23)14-8-11-26-13-14/h3-8,10-11,13H,2,9,12H2,1H3,(H,20,22,25)
• InChIKey: NGVMANLJNCUHDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.127888
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.047366
• LogD (pH = 7.4): 4.0473566
• Log P: 4.0474343
• Molar Refractivity: 126.0105 cm^3
• Polarizability: 40.9847 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.98
• LOG S: -5.26
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 6