N-(1-benzyl-1H-pyrazol-3-yl)-2-[4-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 669693
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: c1(c2oc(cc2)C)cn(nc1)CC(=O)Nc1nn(cc1)Cc1ccccc1
• Canonical SMILES: Cc1ccc(o1)c1cnn(c1)CC(=O)Nc1ccn(n1)Cc1ccccc1
• InChI: InChI=1S/C20H19N5O2/c1-15-7-8-18(27-15)17-11-21-25(13-17)14-20(26)22-19-9-10-24(23-19)12-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3,(H,22,23,26)
• InChIKey: FNWLBOAVNMUCCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzyl-1H-pyrazol-3-yl)-2-[4-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-(1-benzylpyrazol-3-yl)-2-[4-(5-methylfuran-2-yl)pyrazol-1-yl]acetamide
• Synonyms: N-(1-benzyl-1H-pyrazol-3-yl)-2-[4-(5-methyl-2-furyl)-1H-pyrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.31231
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9671783
• LogD (pH = 7.4): 2.9671643
• Log P: 2.967215
• Molar Refractivity: 125.8296 cm^3
• Polarizability: 39.359493 Å^3
• Polar Surface Area: 77.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.28
• LOG S: -4.64
• Polar Surface Area: 77.88 Å^2
• Rotatable Bonds: 6