NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][(4-methanesulfonylphenyl)methyl]methylamine
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IUPAC Traditional name
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[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][(4-methanesulfonylphenyl)methyl]methylamine
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Synonyms
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2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[4-(methylsulfonyl)benzyl]ethanamine
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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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16.278414
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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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-0.39597324
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LogD (pH = 7.4)
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1.149459
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Log P
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1.403201
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Molar Refractivity
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91.4005 cm3
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Polarizability
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35.041607 Å3
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Polar Surface Area
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66.06 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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4
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H Donor
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1
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Log P
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1.38
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LOG S
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-1.72
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Polar Surface Area
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66.06 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