![CAS 1940180-18-6 4-chloro-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1940180-18-6.gif)
CAS RN: 1940180-18-6
4-chloro-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine
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.20251215 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1940180-18-6
- Purity/Analytical Methods: >99.0%
1940180-18-6 / 4-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
Basic Information
CAS
1940180-18-6
Multi CAS
No
Molecular Formula
C10H8ClN5
Molecular Weight
233.660000
Exact Mass
233.046823
SMILES
CN1C=C(C=N1)C2=CN3C(=CC=N3)C(=N2)Cl
InChI
InChI=1S/C10H8ClN5/c1-15-5-7(4-13-15)8-6-16-9(2-3-12-16)10(11)14-8/h2-6H,1H3
InChIKey
NDFBBDUBZDNHGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
60.2
TPSA
48.01
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
0.9
Consensus LogP
1.42
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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