CAS RN: 1369959-12-5
5-chloro-3-nitro-1H-pyrazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 100mg / 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-046486
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 5g, 1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1369959-12-5 / 3-chloro-5-nitro-1H-pyrazole
Basic Information
CAS
1369959-12-5
Multi CAS
No
Molecular Formula
C3H2ClN3O2
Molecular Weight
147.520000
Exact Mass
146.983554
SMILES
C1=C(NN=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C3H2ClN3O2/c4-2-1-3(6-5-2)7(8)9/h1H,(H,5,6)
InChIKey
IAPLHVWLDQZZOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.25
TPSA
71.82
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
1.3
Consensus LogP
1.04
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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