NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-tert-butyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one
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IUPAC Traditional name
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5-tert-butyl-2-methyl-4H-pyrazol-3-one
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Synonyms
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5-(tert-Butyl)-2,4-dihydro-2-methyl-3H-pyrazol-3-one
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3-tert-Butyl-1-methyl-2-pyrazolin-5-one
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5-tert-Butyl-2,4-dihydro-2-methyl-3H-pyrazol-3-one
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3-tert-Butyl-1-methyl-2-pyrazolin-5-one
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3-叔-丁基-1-甲基-2-吡唑啉-5-酮
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CAS Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.445104
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H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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1.668231
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LogD (pH = 7.4)
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1.668274
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Log P
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1.6682786
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Molar Refractivity
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43.4173 cm3
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Polarizability
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16.676847 Å3
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Polar Surface Area
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32.67 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent