CAS RN: 53666-79-8
3-amino-1H-pyrazol-5-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250203 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS53666-79-8
- Purity/Analytical Methods: >99.0%
53666-79-8 / 5-amino-1,2-dihydropyrazol-3-one
Basic Information
CAS
53666-79-8
Multi CAS
No
Molecular Formula
C3H5N3O
Molecular Weight
99.090000
Exact Mass
99.043262
InChI
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)
InChIKey
QZBGOTVBHYKUDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
3
Molar refractivity
25.83
TPSA
74.67
LogP / Solubility
WLOGP
-0.71
MLOGP
-0.64
XLogP3
-0.7
Consensus LogP
-0.68
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.29
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.83
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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