NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(5-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazol-4-yl}thiophen-2-yl)prop-2-yn-1-ol
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IUPAC Traditional name
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3-(5-{1-[2-(pyrazol-1-yl)ethyl]-1,2,3-triazol-4-yl}thiophen-2-yl)prop-2-yn-1-ol
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Synonyms
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3-(5-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazol-4-yl}-2-thienyl)prop-2-yn-1-ol
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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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14.003302
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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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1.8988361
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LogD (pH = 7.4)
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1.8989666
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Log P
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1.8989683
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Molar Refractivity
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100.1968 cm3
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Polarizability
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30.863071 Å3
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Polar Surface Area
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68.76 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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1.56
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LOG S
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-2.72
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Polar Surface Area
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68.76 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