NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R,3S)-3-(2-aminoethoxy)-7-(1-methyl-5-phenyl-1H-pyrazole-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol
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IUPAC Traditional name
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(1R,3S)-3-(2-aminoethoxy)-7-(1-methyl-5-phenylpyrazole-3-carbonyl)-7-azaspiro[3.5]nonan-1-ol
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Synonyms
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(1R*,3S*)-3-(2-aminoethoxy)-7-[(1-methyl-5-phenyl-1H-pyrazol-3-yl)carbonyl]-7-azaspiro[3.5]nonan-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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14.681758
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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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-2.6008842
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LogD (pH = 7.4)
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-1.6248738
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Log P
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0.3821768
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Molar Refractivity
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118.1278 cm3
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Polarizability
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42.475746 Å3
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Polar Surface Area
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93.61 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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-0.71
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LOG S
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-2.71
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Polar Surface Area
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93.61 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