N-(1-methyl-4-phenyl-1H-pyrazol-5-yl)-2-(3-phenyl-1H-pyrazol-1-yl)acetamide

• ChemBase ID: 581947
• Molecular Formular: C21H19N5O
• Molecular Mass: 357.40846
• Monoisotopic Mass: 357.15896025
• SMILES: c1(c(cnn1C)c1ccccc1)NC(=O)Cn1nc(cc1)c1ccccc1
• Canonical SMILES: O=C(Nc1n(C)ncc1c1ccccc1)Cn1ccc(n1)c1ccccc1
• InChI: InChI=1S/C21H19N5O/c1-25-21(18(14-22-25)16-8-4-2-5-9-16)23-20(27)15-26-13-12-19(24-26)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,23,27)
• InChIKey: WUQWLPKWAVIJNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-4-phenyl-1H-pyrazol-5-yl)-2-(3-phenyl-1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-(2-methyl-4-phenylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide
• Synonyms: N-(1-methyl-4-phenyl-1H-pyrazol-5-yl)-2-(3-phenyl-1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.901757
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.51071
• LogD (pH = 7.4): 3.5108402
• Log P: 3.5108433
• Molar Refractivity: 127.3804 cm^3
• Polarizability: 42.14131 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.7
• LOG S: -4.11
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 5