NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-[1-(butan-2-yl)-1H-pyrazol-5-yl]-1-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-methylurea
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IUPAC Traditional name
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1-{[1-(4-fluorophenyl)pyrazol-4-yl]methyl}-1-methyl-3-[2-(sec-butyl)pyrazol-3-yl]urea
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Synonyms
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N'-(1-sec-butyl-1H-pyrazol-5-yl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylurea
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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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13.212989
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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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3.090719
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LogD (pH = 7.4)
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3.090811
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Log P
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3.0908127
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Molar Refractivity
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114.4299 cm3
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Polarizability
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38.61839 Å3
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Polar Surface Area
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67.98 Å2
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Rotatable Bonds
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6
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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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2.71
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LOG S
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-4.21
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Polar Surface Area
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67.98 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