NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[1-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazole
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IUPAC Traditional name
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2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazole
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Synonyms
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2-{1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}-4-methyl-1H-benzimidazole
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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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12.265123
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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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1.9441651
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LogD (pH = 7.4)
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2.2924998
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Log P
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2.299724
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Molar Refractivity
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113.2394 cm3
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Polarizability
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39.49236 Å3
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Polar Surface Area
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66.81 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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1.43
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LOG S
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-2.98
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Polar Surface Area
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66.81 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