-
1-[3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
-
ChemBase ID:
320913
-
Molecular Formular:
C15H18ClN3O
-
Molecular Mass:
291.77592
-
Monoisotopic Mass:
291.11383989
-
SMILES and InChIs
SMILES:
c12c(n[nH]c1CCN(C2)CC(O)C)c1ccc(cc1)Cl
Canonical SMILES:
CC(CN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)Cl)O
InChI:
InChI=1S/C15H18ClN3O/c1-10(20)8-19-7-6-14-13(9-19)15(18-17-14)11-2-4-12(16)5-3-11/h2-5,10,20H,6-9H2,1H3,(H,17,18)
InChIKey:
FGYUGNGCPAXKEG-UHFFFAOYSA-N
-
Cite this record
CBID:320913 http://www.chembase.cn/molecule-320913.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-[3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
|
|
|
IUPAC Traditional name
|
1-[3-(4-chlorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
|
|
|
Synonyms
|
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
14.3391
|
H Acceptors
|
3
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-0.4003718
|
LogD (pH = 7.4)
|
1.3716834
|
Log P
|
2.3136082
|
Molar Refractivity
|
81.8657 cm3
|
Polarizability
|
32.329464 Å3
|
Polar Surface Area
|
52.15 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
2
|
Log P
|
2.78
|
LOG S
|
-2.69
|
Polar Surface Area
|
52.15 Å2
|
Rotatable Bonds
|
3
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent