Compounds

ALA5286970

Name:
3-phenyl-1H-pyrazole-5-carbohydrazide

Mol. Formula:
C10H10N4O

M.W.:
202.22

Type:
---

AlogP:
0.68

Polar Surface Area:
83.80

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5286490

Name:
3-benzyl-N-methoxy-N-methyl-1H-pyrazole-5-carboxam
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Mol. Formula:
C13H15N3O2

M.W.:
245.28

Type:
---

AlogP:
1.63

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5285962

Name:
N-((1r,4r)-4-hydroxycyclohexyl)-3-phenyl-1H-pyrazo
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Mol. Formula:
C16H19N3O2

M.W.:
285.35

Type:
---

AlogP:
2.11

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5284999

Name:
(3-benzyl-1H-pyrazol-5-yl)(4-hydroxypiperidin-1-yl
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Mol. Formula:
C16H19N3O2

M.W.:
285.35

Type:
---

AlogP:
1.60

Polar Surface Area:
69.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5291463

Name:
(3-benzyl-1H-pyrazol-5-yl)(piperidin-1-yl)methanon
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Mol. Formula:
C16H19N3O

M.W.:
269.35

Type:
---

AlogP:
2.63

Polar Surface Area:
48.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.93

DETAILS

ALA5289350

Name:
3-benzyl-N-((1r,4r)-4-hydroxycyclohexyl)-1H-pyrazo
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Mol. Formula:
C17H21N3O2

M.W.:
299.37

Type:
---

AlogP:
2.03

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5289197

Name:
3-benzyl-N-methyl-1H-pyrazole-5-carboxamide

Mol. Formula:
C12H13N3O

M.W.:
215.26

Type:
---

AlogP:
1.36

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA5288730

Name:
N-((1r,4r)-4-hydroxycyclohexyl)-3-phenethyl-1H-pyr
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Mol. Formula:
C18H23N3O2

M.W.:
313.40

Type:
---

AlogP:
2.23

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5277019

Name:
(3-benzyl-1H-pyrazol-5-yl)(pyrrolidin-1-yl)methano
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Mol. Formula:
C15H17N3O

M.W.:
255.32

Type:
---

AlogP:
2.24

Polar Surface Area:
48.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.91

DETAILS

ALA5275828

Name:
(3-benzyl-1H-pyrazol-5-yl)(morpholino)methanone

Mol. Formula:
C15H17N3O2

M.W.:
271.32

Type:
---

AlogP:
1.47

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.92

DETAILS

ALA5274614

Name:
3-benzyl-N-phenyl-1H-pyrazole-5-carboxamide

Mol. Formula:
C17H15N3O

M.W.:
277.33

Type:
---

AlogP:
3.25

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5274275

Name:
azepan-1-yl(3-benzyl-1H-pyrazol-5-yl)methanone

Mol. Formula:
C17H21N3O

M.W.:
283.38

Type:
---

AlogP:
3.02

Polar Surface Area:
48.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5274163

Name:
3-benzyl-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxam
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Mol. Formula:
C13H15N3O2

M.W.:
245.28

Type:
---

AlogP:
0.72

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5273864

Name:
3-(4-fluorobenzyl)-N-((1r,4r)-4-hydroxycyclohexyl)
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Mol. Formula:
C17H20FN3O2

M.W.:
317.36

Type:
---

AlogP:
2.17

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5273448

Name:
3-benzyl-N,N-dimethyl-1H-pyrazole-5-carboxamide

Mol. Formula:
C13H15N3O

M.W.:
229.28

Type:
---

AlogP:
1.70

Polar Surface Area:
48.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA5269482

Name:
N-((1r,4r)-4-hydroxycyclohexyl)-5-phenyl-1H-imidaz
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Mol. Formula:
C16H19N3O2

M.W.:
285.35

Type:
---

AlogP:
2.11

Polar Surface Area:
78.01

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5268816

Name:
N-((3-(2-oxo-1,2-dihydropyridin-3-yl)-1,2,4-oxadia
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Mol. Formula:
C12H10N6O3

M.W.:
286.25

Type:
---

AlogP:
0.08

Polar Surface Area:
129.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5268815

Name:
3-benzyl-N-(4-oxocyclohexyl)-1H-pyrazole-5-carboxa
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Mol. Formula:
C17H19N3O2

M.W.:
297.36

Type:
---

AlogP:
2.24

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5268289

Name:
N-((1r,4r)-4-hydroxycyclohexyl)-4-phenyl-1H-pyrrol
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Mol. Formula:
C17H20N2O2

M.W.:
284.36

Type:
---

AlogP:
2.72

Polar Surface Area:
65.12

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5267994

Name:
N-((1r,4r)-4-hydroxycyclohexyl)-5-phenyl-1H-pyrrol
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Mol. Formula:
C17H20N2O2

M.W.:
284.36

Type:
---

AlogP:
2.72

Polar Surface Area:
65.12

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS