CAS RN: 1093967-38-4
1-(2-methanesulfonylethyl)-1H-pyrazol-3-amine
- Product code: SSC-010692
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1093967-38-4 / 1-(2-methylsulfonylethyl)pyrazol-3-amine
1-(2-methanesulfonylethyl)-1H-pyrazol-3-amine | 1-(2-methylsulfonylethyl)pyrazol-3-amine | 1-[2-(methylsulfonyl)ethyl]-1H-pyrazol-3-amine
Basic Information
CAS
1093967-38-4
Multi CAS
No
Molecular Formula
C6H11N3O2S
Molecular Weight
189.240000
Exact Mass
189.057198
SMILES
CS(=O)(=O)CCN1C=CC(=N1)N
InChI
InChI=1S/C6H11N3O2S/c1-12(10,11)5-4-9-3-2-6(7)8-9/h2-3H,4-5H2,1H3,(H2,7,8)
InChIKey
UVGIOCZLOMMEJN-UHFFFAOYSA-N
Synonyms
1-(2-methanesulfonylethyl)-1H-pyrazol-3-amine
1-(2-methylsulfonylethyl)pyrazol-3-amine
1-[2-(methylsulfonyl)ethyl]-1H-pyrazol-3-amine
1-(2-(methylsulfonyl)ethyl)-1H-pyrazol-3-amine
SCHEMBL2661186
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.35
TPSA
77.98
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.43
XLogP3
-0.8
Consensus LogP
-0.57
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.22
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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