CAS RN: 1312949-22-6
3-Chloro-1-methyl-1H-pyrazol-5-amine 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.20250215 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1312949-22-6
- Purity/Analytical Methods: >99.0%
1312949-22-6 / 3-chloro-1-methylpyrazol-5-amine;hydrochloride
Basic Information
CAS
1312949-22-6
Multi CAS
No
Molecular Formula
C4H7Cl2N3
Molecular Weight
168.020000
Exact Mass
167.001703
SMILES
CN1C(=CC(=N1)Cl)N.Cl
InChI
InChI=1S/C4H6ClN3.ClH/c1-8-4(6)2-3(5)7-8;/h2H,6H2,1H3;1H
InChIKey
IBCTVRKXWOMDEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.88
TPSA
43.84
LogP / Solubility
WLOGP
1.08
MLOGP
0.94
XLogP3
1.08
Consensus LogP
1.03
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.98
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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