CAS RN: 514801-21-9
(1,5-DIMETHYL-1 H-PYRAZOL-4-YLMETHYL)-METHYL-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.20260618 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS514801-21-9
- Purity/Analytical Methods: >99.0%
514801-21-9 / 1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
Basic Information
CAS
514801-21-9
Multi CAS
Yes
Molecular Formula
C7H13N3
Molecular Weight
139.200000
Exact Mass
139.110947
InChI
InChI=1S/C7H13N3/c1-6-7(4-8-2)5-9-10(6)3/h5,8H,4H2,1-3H3
InChIKey
GVBFGLTZOPGOSB-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
40.71
TPSA
29.85
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
Consensus LogP
0.28
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.25
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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