NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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ethyl 4-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxylate
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IUPAC Traditional name
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ethyl 4-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2H-pyrazole-3-carbonyl]piperidine-4-carboxylate
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Synonyms
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ethyl 4-(4-methoxybenzyl)-1-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-4-piperidinecarboxylate
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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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8.339539
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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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3.3110378
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LogD (pH = 7.4)
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3.2656188
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Log P
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3.3116505
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Molar Refractivity
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107.6562 cm3
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Polarizability
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39.916733 Å3
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Polar Surface Area
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84.52 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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2.96
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LOG S
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-5.02
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Polar Surface Area
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84.52 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