Type:
UnknownAlogP:
2.72Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.84DETAILS
ALA4875001Name:
4-(4-methylbenzyl)-1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C23H20N2OM.W.:
340.43Type:
UnknownAlogP:
4.60Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA4871946Name:
4-(3-methylbenzyl)-1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C23H20N2OM.W.:
340.43Type:
UnknownAlogP:
4.60Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA4871900Name:
4-benzyl-1-phenyl-3-p-tolyl-1H-pyrazol-5(4H)-oneMol. Formula:
C23H20N2OM.W.:
340.43Type:
UnknownAlogP:
4.60Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
UnknownAlogP:
3.46Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS-
Type:
UnknownAlogP:
3.63Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4868997
Name:
4-(2-methylbenzyl)-1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C23H20N2OM.W.:
340.43Type:
UnknownAlogP:
4.60Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4866857
Name:
4-(2-nitrobenzyl)-1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C22H17N3O3M.W.:
371.40Type:
UnknownAlogP:
4.20Polar Surface Area:
75.81HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4864916
Name:
4-benzyl-3-(4-bromophenyl)-1-phenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C22H17BrN2OM.W.:
405.30Type:
UnknownAlogP:
5.06Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
3.27Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4860656
Name:
4-(2-chlorobenzyl)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C17H15ClN2OM.W.:
298.77Type:
UnknownAlogP:
3.92Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4859204
Name:
3-methyl-4-(2-methylbenzyl)-1-phenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C18H18N2OM.W.:
278.36Type:
UnknownAlogP:
3.58Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4858058
Name:
4-(3,5-bis(trifluoromethyl)benzyl)-1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C24H16F6N2OM.W.:
462.39Type:
UnknownAlogP:
6.33Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4857006
Name:
1,3-diphenyl-4-(4-(trifluoromethyl)benzyl)-1H-pyrazol-5(4H)-oneMol. Formula:
C23H17F3N2OM.W.:
394.40Type:
UnknownAlogP:
5.32Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4856488
Name:
4-(2-chlorobenzyl)-1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C22H17ClN2OM.W.:
360.84Type:
UnknownAlogP:
4.95Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4856050
Name:
4-benzyl-1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5(4H)-oneMol. Formula:
C20H16N2OSM.W.:
332.43Type:
UnknownAlogP:
4.36Polar Surface Area:
32.67HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4855626
Name:
4-benzyl-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C23H20N2O2M.W.:
356.43Type:
UnknownAlogP:
4.31Polar Surface Area:
41.90HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4853642
Name:
4-(4-bromobenzyl)-1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C22H17BrN2OM.W.:
405.30Type:
UnknownAlogP:
5.06Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4851375
Name:
1-cyclohexyl-4-(4-methylbenzyl)-3-p-tolyl-1H-pyrazol-5(4H)-oneMol. Formula:
C24H28N2OM.W.:
360.50Type:
UnknownAlogP:
5.04Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4851257
Name:
4-(naphthalen-1-ylmethyl)-1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C26H20N2OM.W.:
376.46Type:
UnknownAlogP:
5.45Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
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