CAS RN: 203792-51-2
1H-Pyrazole-3-carboxylicacid,5-cyano-1-methyl-,methylester(9CI)
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.20250317 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS203792-51-2
- Purity/Analytical Methods: >99.0%
203792-51-2 / methyl 5-cyano-1-methylpyrazole-3-carboxylate
Basic Information
CAS
203792-51-2
Multi CAS
No
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
SMILES
CN1C(=CC(=N1)C(=O)OC)C#N
InChI
InChI=1S/C7H7N3O2/c1-10-5(4-8)3-6(9-10)7(11)12-2/h3H,1-2H3
InChIKey
SFQLYURYSMMRQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
39.26
TPSA
67.91
LogP / Solubility
WLOGP
0.08
MLOGP
0.06
XLogP3
0.5
Consensus LogP
0.21
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
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)
-3.67
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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