NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-chloro-4-[({1-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}amino)methyl]phenol
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IUPAC Traditional name
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2-chloro-4-[({1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl}amino)methyl]phenol
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Synonyms
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2-chloro-4-[({1-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}amino)methyl]phenol
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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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7.615239
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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1.7526494
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LogD (pH = 7.4)
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3.3176758
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Log P
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3.5448153
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Molar Refractivity
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98.8509 cm3
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Polarizability
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37.947456 Å3
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Polar Surface Area
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50.08 Å2
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Rotatable Bonds
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5
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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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2
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Log P
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3.61
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LOG S
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-5.16
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Polar Surface Area
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50.08 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent