NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)acetic acid
|
|
|
IUPAC Traditional name
|
(5-oxo-1-phenyl-2H-pyrazol-3-yl)acetic acid
|
|
|
Synonyms
|
(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)acetic acid
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
4.0540934
|
H Acceptors
|
4
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-0.8225641
|
LogD (pH = 7.4)
|
-2.4880419
|
Log P
|
0.63506585
|
Molar Refractivity
|
68.1704 cm3
|
Polarizability
|
21.452234 Å3
|
Polar Surface Area
|
69.64 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent