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CAS 944154-76-1 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridinylmethyl)-1H-pyrazole-3-carboxamide molecular structure lightbox
CAS RN: 944154-76-1

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridinylmethyl)-1H-pyrazole-3-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS944154-76-1
  • Purity/Analytical Methods: >99.0%
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944154-76-1 / 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Standard CAS: 944154-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944154-76-1
Multi CAS
Yes
Molecular Formula
C23H17CL3N4O
Molecular Weight
471.800000
Exact Mass
470.046794
InChI
InChI=1S/C23H17Cl3N4O/c1-14-21(23(31)28-13-15-3-2-10-27-12-15)29-30(20-9-8-18(25)11-19(20)26)22(14)16-4-6-17(24)7-5-16/h2-12H,13H2,1H3,(H,28,31)
InChIKey
PJEIKJFNEFJFLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
23
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
124.17
TPSA
59.81

LogP / Solubility

WLOGP
6.13
MLOGP
5.43
XLogP3
5.8
Consensus LogP
5.79
Log S (ESOL)
-6.85
Class (ESOL)
Insoluble
Log S (Ali)
-7.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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