NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-{1-[(4-fluorophenyl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}-2-phenoxybutan-1-one
|
|
|
IUPAC Traditional name
|
1-{1-[(4-fluorophenyl)methyl]-4H,6H-pyrrolo[3,4-c]pyrazol-5-yl}-2-phenoxybutan-1-one
|
|
|
Synonyms
|
1-(4-fluorobenzyl)-5-(2-phenoxybutanoyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
16.780037
|
H Acceptors
|
3
|
H Donor
|
0
|
LogD (pH = 5.5)
|
3.7159424
|
LogD (pH = 7.4)
|
3.71599
|
Log P
|
3.7159908
|
Molar Refractivity
|
116.0164 cm3
|
Polarizability
|
39.942806 Å3
|
Polar Surface Area
|
47.36 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
0
|
Log P
|
3.08
|
LOG S
|
-4.6
|
Polar Surface Area
|
47.36 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent