NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-({methyl[1-(1,3-thiazol-2-yl)ethyl]amino}methyl)-1H-pyrazole-3-carboxylic acid
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IUPAC Traditional name
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4-({methyl[1-(1,3-thiazol-2-yl)ethyl]amino}methyl)-1H-pyrazole-3-carboxylic acid
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Synonyms
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4-({methyl[1-(1,3-thiazol-2-yl)ethyl]amino}methyl)-1H-pyrazole-3-carboxylic acid
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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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2.9121513
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-1.3860552
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LogD (pH = 7.4)
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-2.0029101
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Log P
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-1.36297
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Molar Refractivity
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68.8142 cm3
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Polarizability
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25.818674 Å3
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Polar Surface Area
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82.11 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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2
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Log P
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1.1
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LOG S
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-2.08
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Polar Surface Area
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82.11 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent