CAS RN: 21018-71-3
2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PYRIDINE
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.20250312 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21018-71-3
- Purity/Analytical Methods: >99.0%
21018-71-3 / 2-(3,5-dimethylpyrazol-1-yl)pyridine
Basic Information
CAS
21018-71-3
Multi CAS
No
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
SMILES
CC1=CC(=NN1C2=CC=CC=N2)C
InChI
InChI=1S/C10H11N3/c1-8-7-9(2)13(12-8)10-5-3-4-6-11-10/h3-7H,1-2H3
InChIKey
DQJACDPPPOAZOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.83
TPSA
30.71
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
2
Consensus LogP
1.84
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
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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