CAS RN: 1001500-47-5
(4-NITRO-PYRAZOL-1-YL)-ACETONITRILE
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.20251101 | 250mg / 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-000550
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: 0.25g, 1g, 10g, 5g, 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1001500-47-5 / 2-(4-nitropyrazol-1-yl)acetonitrile
(4-nitro-1H-pyrazol-1-yl)acetonitrile | 4-Nitro-1H-pyrazole-1-acetonitrile | 2-(4-nitropyrazol-1-yl)acetonitrile
Basic Information
CAS
1001500-47-5
Multi CAS
No
Molecular Formula
C5H4N4O2
Molecular Weight
152.110000
Exact Mass
152.033425
SMILES
C1=C(C=NN1CC#N)[N+](=O)[O-]
InChI
InChI=1S/C5H4N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,2H2
InChIKey
LFQFUHCPOAKRLD-UHFFFAOYSA-N
Synonyms
(4-nitro-1H-pyrazol-1-yl)acetonitrile
4-Nitro-1H-pyrazole-1-acetonitrile
2-(4-nitropyrazol-1-yl)acetonitrile
2-(4-Nitro-1H-pyrazol-1-yl)acetonitrile
MFCD04969696
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
34.49
TPSA
84.75
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
-0.1
Consensus LogP
0.16
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
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)
-3.42
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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