CAS RN: 1956371-64-4
1-(1-(MethoxyMethyl)-1H-pyrazol-3-yl)propan-2-aMine, 97%(HPLC)
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.20250304 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM926543
1956371-64-4 / 1-[1-(methoxymethyl)pyrazol-3-yl]propan-2-amine
Basic Information
CAS
1956371-64-4
Multi CAS
No
Molecular Formula
C8H15N3O
Molecular Weight
169.220000
Exact Mass
169.121512
SMILES
CC(CC1=NN(C=C1)COC)N
InChI
InChI=1S/C8H15N3O/c1-7(9)5-8-3-4-11(10-8)6-12-2/h3-4,7H,5-6,9H2,1-2H3
InChIKey
VMAFJQOHCALRQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.59
TPSA
53.07
LogP / Solubility
WLOGP
0.38
MLOGP
0.33
XLogP3
-0.1
Consensus LogP
0.2
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.48
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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