NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(propan-2-yl)-1H-1,2,4-triazol-1-yl}pyridine
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IUPAC Traditional name
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2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-isopropyl-1,2,4-triazol-1-yl}pyridine
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Synonyms
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2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-isopropyl-1H-1,2,4-triazol-1-yl}pyridine
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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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15.446961
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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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3.0901663
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LogD (pH = 7.4)
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3.093443
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Log P
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3.0934849
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Molar Refractivity
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88.1674 cm3
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Polarizability
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32.088383 Å3
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Polar Surface Area
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72.28 Å2
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Rotatable Bonds
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4
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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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1.88
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LOG S
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-2.96
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Polar Surface Area
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72.28 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent