Compounds

ALA2289599

Name:
4-chloro-3-ethyl-1-methyl-N-(4-phenoxybenzyl)-1H-pyrazole-5-carboxamide

Mol. Formula:
C20H20ClN3O2

M.W.:
369.85

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2289598

Name:
4-chloro-3-ethyl-N-(4-(4-isopropylphenoxy)benzyl)-1-methyl-1H-pyrazole-5-caShow More⌵

Mol. Formula:
C23H26ClN3O2

M.W.:
411.93

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2289597

Name:
4-chloro-3-ethyl-N-(4-(4-ethylphenoxy)benzyl)-1-methyl-1H-pyrazole-5-carboxShow More⌵

Mol. Formula:
C22H24ClN3O2

M.W.:
397.91

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2289596

Name:
4-chloro-3-ethyl-N-(4-(4-isobutylphenoxy)benzyl)-1-methyl-1H-pyrazole-5-carShow More⌵

Mol. Formula:
C24H28ClN3O2

M.W.:
425.96

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2289595

Name:
4-chloro-3-ethyl-N-(4-(4-isopropoxyphenoxy)benzyl)-1-methyl-1H-pyrazole-5-cShow More⌵

Mol. Formula:
C23H26ClN3O3

M.W.:
427.93

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2289594

Name:
4-chloro-3-ethyl-N-(4-(4-methoxyphenoxy)benzyl)-1-methyl-1H-pyrazole-5-carbShow More⌵

Mol. Formula:
C21H22ClN3O3

M.W.:
399.88

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289593

Name:
4-chloro-N-(4-(4-(difluoromethoxy)phenoxy)benzyl)-3-ethyl-1-methyl-1H-pyrazShow More⌵

Mol. Formula:
C21H20ClF2N3O3

M.W.:
435.86

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2289592

Name:
4-chloro-3-ethyl-1-methyl-N-(4-(4-(2,2,2-trifluoroethoxy)phenoxy)benzyl)-1HShow More⌵

Mol. Formula:
C22H21ClF3N3O3

M.W.:
467.88

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2289591

Name:
4-chloro-N-(4-(4-chlorophenoxy)benzyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboShow More⌵

Mol. Formula:
C20H19Cl2N3O2

M.W.:
404.30

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289590

Name:
4-chloro-3-ethyl-1-methyl-N-(4-(4-(methylthio)phenoxy)benzyl)-1H-pyrazole-5Show More⌵

Mol. Formula:
C21H22ClN3O2S

M.W.:
415.95

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
56.15

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2289589

Name:
4-chloro-3-ethyl-N-(4-(4-(ethylthio)phenoxy)benzyl)-1-methyl-1H-pyrazole-5-Show More⌵

Mol. Formula:
C22H24ClN3O2S

M.W.:
429.97

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
56.15

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2289588

Name:
4-chloro-3-ethyl-N-(4-(4-(isopropylthio)phenoxy)benzyl)-1-methyl-1H-pyrazolShow More⌵

Mol. Formula:
C23H26ClN3O2S

M.W.:
444.00

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
56.15

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2289587

Name:
N-[4-(4-methylsudfrnylphenoxy)benzyl]-4-chloro-3-ethyl-1-methylpyrazole-5-cShow More⌵

Mol. Formula:
C21H22ClN3O3S

M.W.:
431.95

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
79.21

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2289586

Name:
N-[4-(4-methylsulfonylphenoxy)benzyl]-4-chloro-3-ethyl-1-methylpyrazole-5-cShow More⌵

Mol. Formula:
C21H22ClN3O4S

M.W.:
447.94

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2289585

Name:
4-chloro-N-(4-(4-(difluoromethyl)phenoxy)benzyl)-3-ethyl-1-methyl-1H-pyrazoShow More⌵

Mol. Formula:
C21H20ClF2N3O2

M.W.:
419.86

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2289584

Name:
4-chloro-3-ethyl-1-methyl-N-(4-(4-(trifluoromethyl)phenoxy)benzyl)-1H-pyrazShow More⌵

Mol. Formula:
C21H19ClF3N3O2

M.W.:
437.85

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2289583

Name:
4-chloro-N-(4-(4-cyanophenoxy)benzyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxShow More⌵

Mol. Formula:
C21H19ClN4O2

M.W.:
394.86

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
79.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2289582

Name:
4-chloro-3-ethyl-1-methyl-N-(4-(4-nitrophenoxy)benzyl)-1H-pyrazole-5-carboxShow More⌵

Mol. Formula:
C20H19ClN4O4

M.W.:
414.85

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
99.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2289581

Name:
4-chloro-1-methyl-N-(4-(4-(trifluoromethyl)phenoxy)benzyl)-1H-pyrazole-5-caShow More⌵

Mol. Formula:
C19H15ClF3N3O2

M.W.:
409.80

4 activity values

1 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

ALA2285713

Name:
4-chloro-1,3-dimethyl-N-(4-(4-(trifluoromethyl)phenoxy)benzyl)-1H-pyrazole-Show More⌵

Mol. Formula:
C20H17ClF3N3O2

M.W.:
423.82

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS