NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{1-[(3,5-dimethoxyphenyl)methyl]-4-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}piperazin-2-yl}ethan-1-ol
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IUPAC Traditional name
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2-{1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-isopropylpyrazol-4-yl)methyl]piperazin-2-yl}ethanol
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Synonyms
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2-{1-(3,5-dimethoxybenzyl)-4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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15.921743
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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-0.31761655
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LogD (pH = 7.4)
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1.3682315
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Log P
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1.8017606
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Molar Refractivity
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127.0885 cm3
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Polarizability
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44.878662 Å3
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Polar Surface Area
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62.99 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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true
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H Acceptors
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7
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H Donor
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1
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Log P
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2.74
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LOG S
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-1.91
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Polar Surface Area
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62.99 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent