CAS RN: 1007351-17-8
5-IODO-1H-PYRAZOLE
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.20251122 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS1007351-17-8
- Purity/Analytical Methods: >99.0%
1007351-17-8 / 5-iodo-1H-pyrazole
3-Iodo-1H-pyrazole | 5-iodo-1H-pyrazole | DTXSID10963354
Basic Information
CAS
1007351-17-8
Multi CAS
No
Molecular Formula
C3H3IN2
Molecular Weight
193.970000
Exact Mass
193.934100
SMILES
C1=C(NN=C1)I
InChI
InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey
RUKDVLFJSMVBLV-UHFFFAOYSA-N
Synonyms
3-Iodo-1H-pyrazole
5-iodo-1H-pyrazole
DTXSID10963354
RefChem:502658
DTXCID001391113
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.3
TPSA
28.68
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.18
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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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