![CAS 1392271-80-5 1-Methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62629409(1).gif)
CAS RN: 1392271-80-5
1-Methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
- Product code: SSC-049644
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1392271-80-5 / 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;hydrochloride
Basic Information
CAS
1392271-80-5
Multi CAS
No
Molecular Formula
C7H12ClN3
Molecular Weight
173.640000
Exact Mass
173.071975
SMILES
CN1C2=C(CNCC2)C=N1.Cl
InChI
InChI=1S/C7H11N3.ClH/c1-10-7-2-3-8-4-6(7)5-9-10;/h5,8H,2-4H2,1H3;1H
InChIKey
MCMQMNPGKTYDDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.87
TPSA
29.85
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.43
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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