NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-{1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}benzoic acid
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IUPAC Traditional name
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4-{1-[(trimethylpyrazol-4-yl)methyl]piperidin-3-yl}benzoic acid
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Synonyms
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4-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}benzoic acid
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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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3.9239054
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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-0.058804024
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LogD (pH = 7.4)
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-0.052954175
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Log P
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-0.050990976
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Molar Refractivity
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107.2101 cm3
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Polarizability
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36.102283 Å3
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Polar Surface Area
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58.36 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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1
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Log P
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2.8
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LOG S
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-3.98
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Polar Surface Area
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58.36 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