Compounds

ALA4879137

Name:
9-(3,5-Difluorophenyl)-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-3H-pyrazolo[Show More⌵

Mol. Formula:
C20H10F5N5

M.W.:
415.33

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4877835

Name:
1-Methyl-7-(3-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-Show More⌵

Mol. Formula:
C19H19N5

M.W.:
317.40

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4876559

Name:
5-Fluoro-7-(3-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-Show More⌵

Mol. Formula:
C18H16FN5

M.W.:
321.36

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4874990

Name:
7-(3-(Trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrahydroisothiazolo[4,5Show More⌵

Mol. Formula:
C18H13F3N4S

M.W.:
374.39

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.13

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4874720

Name:
7-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyShow More⌵

Mol. Formula:
C19H16F3N5

M.W.:
371.37

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4873799

Name:
5-Fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo-[4,3-a]phenanShow More⌵

Mol. Formula:
C17H14FN5

M.W.:
307.33

21 activity values

16 unique targets

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4873580

Name:
3,5-Dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]-phenanthridin-7-yl)Show More⌵

Mol. Formula:
C19H18N4O

M.W.:
318.38

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
67.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4871936

Name:
1-Iodo-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyraShow More⌵

Mol. Formula:
C18H13F3IN5

M.W.:
483.24

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4871182

Name:
(7-(3-(Trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro3H-pyrazolo[4,Show More⌵

Mol. Formula:
C19H16F3N5O

M.W.:
387.37

29 activity values

16 unique targets

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
90.48

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4870954

Name:
7-(3-Isopropyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenShow More⌵

Mol. Formula:
C20H21N5

M.W.:
331.42

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4870754

Name:
7-(3-(Trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,Show More⌵

Mol. Formula:
C18H14F3N5O

M.W.:
373.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
90.48

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4870645

Name:
3-Methyl-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyShow More⌵

Mol. Formula:
C19H16F3N5

M.W.:
371.37

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4870241

Name:
1-Chloro-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,8,9,10,11,12-hexahydrocyShow More⌵

Mol. Formula:
C19H15ClF3N5

M.W.:
405.81

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4870099

Name:
9-(Trifluoromethyl)-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetraShow More⌵

Mol. Formula:
C19H13F6N5

M.W.:
425.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4869903

Name:
7-(3-(Tri fluoromethyl)-1H-pyrazol-4-yl)-3,8,10,11-tetrahydropyrazolo[4,3-fShow More⌵

Mol. Formula:
C17H12F3N5O2S

M.W.:
407.38

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
104.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4869569

Name:
5-Fluoro-1-methyl-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrahyShow More⌵

Mol. Formula:
C19H15F4N5

M.W.:
389.36

29 activity values

16 unique targets

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4869564

Name:
5-Fluoro-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyShow More⌵

Mol. Formula:
C19H12F4N6

M.W.:
400.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
94.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4869214

Name:
9-Ethyl-8-methyl-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-3H-pyrazolo[4,3-f]Show More⌵

Mol. Formula:
C17H14F3N5

M.W.:
345.33

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4869193

Name:
7-(3-(Trifluoromethyl)-1H-pyrazol-4-yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]Show More⌵

Mol. Formula:
C17H12F3N5OS

M.W.:
391.38

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
93.31

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4868047

Name:
5-(Trifluoromethyl)-7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetraShow More⌵

Mol. Formula:
C19H13F6N5

M.W.:
425.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
70.25

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS