CAS RN: 514816-08-1
N-methyl(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine hydrochloride
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.20250528 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS514816-08-1
- Purity/Analytical Methods: >99.0%
514816-08-1 / N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
Basic Information
CAS
514816-08-1
Multi CAS
Yes
Molecular Formula
C8H15N3
Molecular Weight
153.220000
Exact Mass
153.126597
InChI
InChI=1S/C8H15N3/c1-6-8(5-9-3)7(2)11(4)10-6/h9H,5H2,1-4H3
InChIKey
DBORGGVCQYVMEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.45
TPSA
29.85
LogP / Solubility
WLOGP
0.76
MLOGP
0.66
XLogP3
0.4
Consensus LogP
0.61
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.12
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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