Compounds

ALA2269781

Name:
3-(3-(trifluoromethyl)phenoxy)-1-methyl-N-(1-phenylethyl)-1H-pyrazole-4-carShow More⌵

Mol. Formula:
C20H18F3N3O2

M.W.:
389.38

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2269780

Name:
3-(3-(trifluoromethyl)phenoxy)-1-methyl-N-(prop-2-ynyl)-1H-pyrazole-4-carboShow More⌵

Mol. Formula:
C15H12F3N3O2

M.W.:
323.27

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2269779

Name:
3-(3-(trifluoromethyl)phenoxy)-N-cyclopropyl-1-methyl-1H-pyrazole-4-carboxaShow More⌵

Mol. Formula:
C15H14F3N3O2

M.W.:
325.29

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2269778

Name:
3-(3-(trifluoromethyl)phenoxy)-N-butyl-1-methyl-1H-pyrazole-4-carboxamide

Mol. Formula:
C16H18F3N3O2

M.W.:
341.33

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2269777

Name:
3-(3-(trifluoromethyl)phenoxy)-N-(4-fluorophenyl)-1-methyl-1H-pyrazole-4-caShow More⌵

Mol. Formula:
C18H13F4N3O2

M.W.:
379.31

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2269776

Name:
3-(3-(trifluoromethyl)phenoxy)-N-(2-fluorophenyl)-1-methyl-1H-pyrazole-4-caShow More⌵

Mol. Formula:
C18H13F4N3O2

M.W.:
379.31

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2269775

Name:
3-(3-(trifluoromethyl)phenoxy)-N-(4-chloro-2-fluorophenyl)-1-methyl-1H-pyraShow More⌵

Mol. Formula:
C18H12ClF4N3O2

M.W.:
413.76

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2269774

Name:
3-(3-(trifluoromethyl)phenoxy)-N-(2-chloro-4-fluorophenyl)-1-methyl-1H-pyraShow More⌵

Mol. Formula:
C18H12ClF4N3O2

M.W.:
413.76

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2269773

Name:
3-(3-(trifluoromethyl)phenoxy)-N-(2,4-dichlorophenyl)-1-methyl-1H-pyrazole-Show More⌵

Mol. Formula:
C18H12Cl2F3N3O2

M.W.:
430.21

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2269772

Name:
3-(3-(trifluoromethyl)phenoxy)-N-(2-chlorophenyl)-1-methyl-1H-pyrazole-4-caShow More⌵

Mol. Formula:
C18H13ClF3N3O2

M.W.:
395.77

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2269771

Name:
3-(3-(trifluoromethyl)phenoxy)-1-methyl-N-phenyl-1H-pyrazole-4-carboxamide

Mol. Formula:
C18H14F3N3O2

M.W.:
361.32

43 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2269770

Name:
3-(3-(trifluoromethyl)phenoxy)-1-methyl-N-propoxy-1H-pyrazole-4-carboxamide

Mol. Formula:
C15H16F3N3O3

M.W.:
343.31

33 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2269769

Name:
3-(3-(trifluoromethyl)phenoxy)-N-ethoxy-1-methyl-1H-pyrazole-4-carboxamide

Mol. Formula:
C14H14F3N3O3

M.W.:
329.28

34 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2269768

Name:
(3-(3-(trifluoromethyl)phenoxy)-1-methyl-1H-pyrazol-4-yl)(pyrrolidin-1-yl)mShow More⌵

Mol. Formula:
C16H16F3N3O2

M.W.:
339.32

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2269767

Name:
3-(3-(trifluoromethyl)phenoxy)-N-ethyl-1-methyl-N-propyl-1H-pyrazole-4-carbShow More⌵

Mol. Formula:
C17H20F3N3O2

M.W.:
355.36

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2269766

Name:
3-(3-(trifluoromethyl)phenoxy)-N-((tetrahydrofuran-2-yl)methyl)-1-methyl-1HShow More⌵

Mol. Formula:
C17H18F3N3O3

M.W.:
369.34

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2269765

Name:
3-(3-(trifluoromethyl)phenoxy)-N-(3-chlorobenzyl)-1-methyl-1H-pyrazole-4-caShow More⌵

Mol. Formula:
C19H15ClF3N3O2

M.W.:
409.80

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2269764

Name:
N-(2,4-difluorophenyl)-1-ethyl-3-(3-(trifluoromethyl)phenoxy)-pyrazole-4-caShow More⌵

Mol. Formula:
C19H14F5N3O2

M.W.:
411.33

34 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2269763

Name:
3-(4-(trifluoromethyl)pyridin-2-yloxy)-N-(2,4-difluorophenyl)-1-methyl-1H-pShow More⌵

Mol. Formula:
C17H11F5N4O2

M.W.:
398.29

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
69.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2269762

Name:
3-(3-(trifluoromethyl)-4-(methylthio)phenoxy)-N-(2,4-difluorophenyl)-1-methShow More⌵

Mol. Formula:
C19H14F5N3O2S

M.W.:
443.40

25 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
56.15

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS