ALA4879035Name:
Ethyl 2-(1-methyl-4-(phenanthren-9-yl)-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C26H21N3O2M.W.:
407.47Type:
UnknownAlogP:
5.63Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA4878147Name:
2-(2-(2-hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-4-olMol. Formula:
C12H12N4O2M.W.:
244.25Type:
UnknownAlogP:
1.64Polar Surface Area:
90.63HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA4877377Name:
Ethyl 5-fluoro-2-(1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C12H12FN3O2M.W.:
249.25Type:
UnknownAlogP:
1.80Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA4875702Name:
2-(1-methyl-1H-pyrazol-3-yl)-4-(1H-1,2,3-triazol-5-yl)pyridineMol. Formula:
C11H10N6M.W.:
226.24Type:
UnknownAlogP:
1.27Polar Surface Area:
72.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA4873713Name:
Ethyl 2-(1-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)isonicotinateMol. Formula:
C13H12F3N3O2M.W.:
299.25Type:
UnknownAlogP:
2.68Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS-
Type:
UnknownAlogP:
1.66Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
1.65Polar Surface Area:
67.87HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4872016
Name:
Ethyl 2-(1-methyl-4-(3-morpholinophenyl)-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C22H24N4O3M.W.:
392.46Type:
UnknownAlogP:
3.16Polar Surface Area:
69.48HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4869715
Name:
Ethyl 2-(1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C12H13N3O2M.W.:
231.25Type:
UnknownAlogP:
1.66Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4868990
Name:
Ethyl 2-(1-methyl-4-phenyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C18H17N3O2M.W.:
307.35Type:
UnknownAlogP:
3.33Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4868817
Name:
Ethyl 2-(4-(benzofuran-5-yl)-1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C20H17N3O3M.W.:
347.37Type:
UnknownAlogP:
4.07Polar Surface Area:
70.15HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4868102
Name:
Ethyl 2-(4-(6-methoxypyridin-3-yl)-1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C18H18N4O3M.W.:
338.37Type:
UnknownAlogP:
2.73Polar Surface Area:
79.13HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4867706
Name:
Cyclopentyl 2-(1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C15H17N3O2M.W.:
271.32Type:
UnknownAlogP:
2.58Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4867354
Name:
2,2-difluoroethyl 2-(1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C12H11F2N3O2M.W.:
267.24Type:
UnknownAlogP:
1.90Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4866894
Name:
Ethyl 2-(4-(3,5-dimethoxyphenyl)-1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C20H21N3O4M.W.:
367.41Type:
UnknownAlogP:
3.34Polar Surface Area:
75.47HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4864428
Name:
Isopropyl 2-(1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C13H15N3O2M.W.:
245.28Type:
UnknownAlogP:
2.05Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4863495
Name:
Cyclopropylmethyl 2-(1-methyl-1H-pyrazol-3-yl)isonicotinateMol. Formula:
C14H15N3O2M.W.:
257.29Type:
UnknownAlogP:
2.05Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
2.14Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
0.58Polar Surface Area:
73.80HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4860727
Name:
Ethyl 2-(1-methyl-1H-pyrazol-5-yl)isonicotinateMol. Formula:
C12H13N3O2M.W.:
231.25Type:
UnknownAlogP:
1.66Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
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