CAS RN: 934758-92-6
5-chloro-1H-pyrazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250108 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS934758-92-6
- Purity/Analytical Methods: >99.0%
934758-92-6 / 5-chloro-1H-pyrazole
Basic Information
CAS
934758-92-6
Multi CAS
No
Molecular Formula
C3H3CLN2
Molecular Weight
102.520000
Exact Mass
101.998476
InChI
InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey
IJPFBRONCJOTTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.6
TPSA
28.68
LogP / Solubility
WLOGP
1.06
MLOGP
0.92
XLogP3
1.2
Consensus LogP
1.06
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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