CAS RN: 1247943-03-8
2-(3-Amino-5-methylpyrazol-1-yl)ethanol
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.20250223 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1247943-03-8
- Purity/Analytical Methods: >99.0%
1247943-03-8 / 2-(3-amino-5-methylpyrazol-1-yl)ethanol
Basic Information
CAS
1247943-03-8
Multi CAS
No
Molecular Formula
C6H11N3O
Molecular Weight
141.170000
Exact Mass
141.090212
SMILES
CC1=CC(=NN1CCO)N
InChI
InChI=1S/C6H11N3O/c1-5-4-6(7)8-9(5)2-3-10/h4,10H,2-3H2,1H3,(H2,7,8)
InChIKey
HNXBOMGYFGWFGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.46
TPSA
64.07
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.21
XLogP3
-0.5
Consensus LogP
-0.31
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
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)
-3.75
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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