CAS RN: 69980-77-4
3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propan-1-amine
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.20250521 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69980-77-4
- Purity/Analytical Methods: >99.0%
69980-77-4 / 3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
Basic Information
CAS
69980-77-4
Multi CAS
No
Molecular Formula
C9H17N3
Molecular Weight
167.250000
Exact Mass
167.142248
InChI
InChI=1S/C9H17N3/c1-7-8(2)11-12(9(7)3)6-4-5-10/h4-6,10H2,1-3H3
InChIKey
YRUTVJNXEQREHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.11
TPSA
43.84
LogP / Solubility
WLOGP
1.16
MLOGP
1.01
XLogP3
0.7
Consensus LogP
0.96
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.92
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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