NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 4-[({[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]benzoate
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IUPAC Traditional name
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methyl 4-[({[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]benzoate
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Synonyms
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methyl 4-[({[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]benzoate
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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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14.473931
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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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LogD (pH = 5.5)
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0.6544816
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LogD (pH = 7.4)
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2.2518218
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Log P
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3.581835
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Molar Refractivity
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101.0751 cm3
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Polarizability
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39.46601 Å3
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Polar Surface Area
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76.24 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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2
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Log P
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2.59
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LOG S
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-3.66
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Polar Surface Area
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76.24 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent