NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(3-methoxyphenyl)-4-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazin-2-one
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IUPAC Traditional name
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1-(3-methoxyphenyl)-4-[(trimethylpyrazol-4-yl)methyl]piperazin-2-one
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Synonyms
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1-(3-methoxyphenyl)-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-2-piperazinone
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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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17.52779
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H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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0.64958096
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LogD (pH = 7.4)
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1.110016
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Log P
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1.1205893
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Molar Refractivity
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105.2173 cm3
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Polarizability
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35.732616 Å3
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Polar Surface Area
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50.6 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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0
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Log P
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1.57
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LOG S
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-2.94
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Polar Surface Area
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50.6 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent