2-(2,3-dihydro-1H-inden-1-yl)-N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)acetamide

• ChemBase ID: 593523
• Molecular Formular: C21H27N3O
• Molecular Mass: 337.45858
• Monoisotopic Mass: 337.2154125
• SMILES: n1(nc(cc1C)C)CC1(CC1)CNC(=O)CC1c2c(CC1)cccc2
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCC1(CC1)Cn1nc(cc1C)C
• InChI: InChI=1S/C21H27N3O/c1-15-11-16(2)24(23-15)14-21(9-10-21)13-22-20(25)12-18-8-7-17-5-3-4-6-19(17)18/h3-6,11,18H,7-10,12-14H2,1-2H3,(H,22,25)
• InChIKey: ACEUUBYSTLKAIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.833446
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9344087
• LogD (pH = 7.4): 2.937394
• Log P: 2.9374323
• Molar Refractivity: 111.0292 cm^3
• Polarizability: 38.343815 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.18
• LOG S: -4.38
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6