NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(3-isocyanatophenyl)-1-methyl-1H-pyrazole
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IUPAC Traditional name
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3-(3-isocyanatophenyl)-1-methylpyrazole
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Synonyms
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3-(3-isocyanatophenyl)-1-methyl-1H-pyrazole
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3-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole
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3-(1-Methyl-1H-pyrazol-3-yl)phenyl isocyanate 97%
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CAS Number
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MDL 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
H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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2.3436253
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LogD (pH = 7.4)
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2.3437357
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Log P
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2.3437371
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Molar Refractivity
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68.7976 cm3
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Polarizability
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22.15281 Å3
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Polar Surface Area
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47.25 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
Storage Warning
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Harmful
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Show
data source
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Purity
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95%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent