CAS RN: 54820-92-7
5-AMINO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONITRILE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-162654
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 | Beijing | Inquiry |
54820-92-7 / 5-amino-1,3-dimethylpyrazole-4-carbonitrile
Basic Information
CAS
54820-92-7
Multi CAS
Yes
Molecular Formula
C6H8N4
Molecular Weight
136.150000
Exact Mass
136.074896
InChI
InChI=1S/C6H8N4/c1-4-5(3-7)6(8)10(2)9-4/h8H2,1-2H3
InChIKey
FZJSBIMCUGPBKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.07
TPSA
67.63
LogP / Solubility
WLOGP
0.18
MLOGP
0.15
XLogP3
0.6
Consensus LogP
0.31
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-3.42
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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