CAS RN: 948572-94-9
N,1-Dimethyl-1H-pyrazol-4-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.20251110 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: LINN902185
948572-94-9 / N,1-dimethylpyrazol-4-amine;dihydrochloride
Basic Information
CAS
948572-94-9
Multi CAS
Yes
Molecular Formula
C5H11CL2N3
Molecular Weight
184.060000
Exact Mass
183.033003
InChI
InChI=1S/C5H9N3.2ClH/c1-6-5-3-7-8(2)4-5;;/h3-4,6H,1-2H3;2*1H
InChIKey
VRWCIXDFBIGIJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.25
TPSA
29.85
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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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