1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-(1-methyl-1H-pyrazol-5-yl)propan-1-one

• ChemBase ID: 546133
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(c1c(OC)cccc1)N1CCN(C(=O)CCc2n(ncc2)C)CC1
• Canonical SMILES: COc1ccccc1C(=O)N1CCN(CC1)C(=O)CCc1ccnn1C
• InChI: InChI=1S/C19H24N4O3/c1-21-15(9-10-20-21)7-8-18(24)22-11-13-23(14-12-22)19(25)16-5-3-4-6-17(16)26-2/h3-6,9-10H,7-8,11-14H2,1-2H3
• InChIKey: FQQLBZOXNNBUAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-(1-methyl-1H-pyrazol-5-yl)propan-1-one
• IUPAC Traditional name: 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
• Synonyms: 1-(2-methoxybenzoyl)-4-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.65832376
• LogD (pH = 7.4): 0.6584416
• Log P: 0.6584431
• Molar Refractivity: 109.9721 cm^3
• Polarizability: 37.237934 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.18
• LOG S: -3.26
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5