CAS RN: 911788-34-6
1-(1-ethyl-1H-pyrazol-3-yl)ethanamine(SALTDATA: FREE)
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.20260306 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS911788-34-6
- Purity/Analytical Methods: >99.0%
911788-34-6 / 1-(1-ethylpyrazol-3-yl)ethanamine
Basic Information
CAS
911788-34-6
Multi CAS
No
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
InChI
InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6(2)8/h4-6H,3,8H2,1-2H3
InChIKey
CUFUZDIZPDUDPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.5
TPSA
43.84
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
-0.2
Consensus LogP
0.51
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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