CAS RN: 1322805-15-1
4-Nitro-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid
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.20250225 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-039241
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1322805-15-1 / 4-nitro-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
Basic Information
CAS
1322805-15-1
Multi CAS
No
Molecular Formula
C5H2F3N3O4
Molecular Weight
225.080000
Exact Mass
224.999740
SMILES
C1(=C(NN=C1C(=O)O)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C5H2F3N3O4/c6-5(7,8)3-2(11(14)15)1(4(12)13)9-10-3/h(H,9,10)(H,12,13)
InChIKey
PSUXBAOGDOGJBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.2
TPSA
109.12
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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