NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3,4,4-trimethyl-1-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-ol
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IUPAC Traditional name
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3,4,4-trimethyl-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-ol
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Synonyms
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3,4,4-trimethyl-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]pyrrolidin-3-ol
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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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14.157426
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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1.2882977
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LogD (pH = 7.4)
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1.288341
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Log P
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1.2883416
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Molar Refractivity
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90.5119 cm3
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Polarizability
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29.978165 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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3
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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1
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Log P
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0.77
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LOG S
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-1.9
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Polar Surface Area
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58.36 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent