NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
[(1,3-dimethyl-1H-pyrazol-5-yl)methyl][(4-fluorophenyl)methyl](oxolan-2-ylmethyl)amine
|
|
|
IUPAC Traditional name
|
[(2,5-dimethylpyrazol-3-yl)methyl][(4-fluorophenyl)methyl](oxolan-2-ylmethyl)amine
|
|
|
Synonyms
|
1-(1,3-dimethyl-1H-pyrazol-5-yl)-N-(4-fluorobenzyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
3
|
H Donor
|
0
|
LogD (pH = 5.5)
|
1.0380791
|
LogD (pH = 7.4)
|
2.490426
|
Log P
|
2.679638
|
Molar Refractivity
|
101.0568 cm3
|
Polarizability
|
34.28102 Å3
|
Polar Surface Area
|
30.29 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
0
|
Log P
|
2.9
|
LOG S
|
-2.99
|
Polar Surface Area
|
30.29 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent