CAS RN: 3920-40-9
1H-Pyrazole-3-carboxamide,4-amino-1-methyl-(9CI)
- Product code: SSC-146864
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
3920-40-9 / 4-amino-1-methylpyrazole-3-carboxamide
Basic Information
CAS
3920-40-9
Multi CAS
No
Molecular Formula
C5H8N4O
Molecular Weight
140.140000
Exact Mass
140.069811
InChI
InChI=1S/C5H8N4O/c1-9-2-3(6)4(8-9)5(7)10/h2H,6H2,1H3,(H2,7,10)
InChIKey
PKAKWMDYLMOHOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.14
TPSA
86.93
LogP / Solubility
WLOGP
-0.9
MLOGP
-0.8
XLogP3
-0.7
Consensus LogP
-0.8
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.21
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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- Purity/Analytical method: >99.0%
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