N-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetamide

• ChemBase ID: 716995
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c1(n(ncc1C)C1CCCC1)NC(=O)Cn1c(nc2c1cccc2)C
• Canonical SMILES: O=C(Cn1c(C)nc2c1cccc2)Nc1c(C)cnn1C1CCCC1
• InChI: InChI=1S/C19H23N5O/c1-13-11-20-24(15-7-3-4-8-15)19(13)22-18(25)12-23-14(2)21-16-9-5-6-10-17(16)23/h5-6,9-11,15H,3-4,7-8,12H2,1-2H3,(H,22,25)
• InChIKey: SRVXDZGFSOREPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetamide
• IUPAC Traditional name: N-(2-cyclopentyl-4-methylpyrazol-3-yl)-2-(2-methyl-1,3-benzodiazol-1-yl)acetamide
• Synonyms: N-(1-cyclopentyl-4-methyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-benzimidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.589275
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2655
• LogD (pH = 7.4): 2.8833203
• Log P: 2.9038043
• Molar Refractivity: 108.2789 cm^3
• Polarizability: 37.85227 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: 2.23
• LOG S: -5.21
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4