CAS RN: 3920-50-1
Pyrazole-3-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250328 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Guangdong, Shanghai | Inquiry |
- Product code: ICTP2261
- Purity/Analytical Methods: >98.0%(GC)
3920-50-1 / 1H-pyrazole-5-carbaldehyde
Basic Information
CAS
3920-50-1
Multi CAS
Yes
Molecular Formula
C4H4N2O
Molecular Weight
96.090000
Exact Mass
96.032363
InChI
InChI=1S/C4H4N2O/c7-3-4-1-2-5-6-4/h1-3H,(H,5,6)
InChIKey
ICFGFAUMBISMLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.98
TPSA
45.75
LogP / Solubility
WLOGP
0.22
MLOGP
0.18
Consensus LogP
0.13
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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)
-3.15
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
