CAS RN: 22407-20-1
5-(forMylaMino)-1H-pyrazole-4-carboxaMide
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.20250517 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22407-20-1
- Purity/Analytical Methods: >99.0%
22407-20-1 / 5-formamido-1H-pyrazole-4-carboxamide
Basic Information
CAS
22407-20-1
Multi CAS
No
Molecular Formula
C5H6N4O2
Molecular Weight
154.130000
Exact Mass
154.049075
SMILES
C1=NNC(=C1C(=O)N)NC=O
InChI
InChI=1S/C5H6N4O2/c6-4(11)3-1-8-9-5(3)7-2-10/h1-2H,(H2,6,11)(H2,7,8,9,10)
InChIKey
MKVXRGIJTKYXPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.79
TPSA
100.87
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.82
XLogP3
-0.8
Consensus LogP
-0.85
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very 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)
-4.32
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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