![CAS 1187830-68-7 1,4,5,6-Tetrahydro-1-Methylpyrrolo[3,4-c]pyrazole HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-68-7.gif)
CAS RN: 1187830-68-7
1,4,5,6-Tetrahydro-1-Methylpyrrolo[3,4-c]pyrazole HCl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-018753
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- 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.
1187830-68-7 / 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
1-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole hydrochloride | 1,4,5,6-Tetrahydro-1-methylpyrrolo[3,4-c]pyrazole HCl | 1,4,5,6-Tetrahydro-1-methylpyrrolo[3,4-c]pyrazole HYDROCHLORIDE
Basic Information
CAS
1187830-68-7
Multi CAS
Yes
Molecular Formula
C6H10ClN3
Molecular Weight
159.620000
Exact Mass
159.056325
SMILES
CN1C2=C(CNC2)C=N1.Cl
InChI
InChI=1S/C6H9N3.ClH/c1-9-6-4-7-2-5(6)3-8-9;/h3,7H,2,4H2,1H3;1H
InChIKey
YVTGXCGMXNMPOV-UHFFFAOYSA-N
Synonyms
1-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole hydrochloride
1,4,5,6-Tetrahydro-1-methylpyrrolo[3,4-c]pyrazole HCl
1,4,5,6-Tetrahydro-1-methylpyrrolo[3,4-c]pyrazole HYDROCHLORIDE
MFCD12400786
1-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41
TPSA
29.85
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
0.45
Consensus LogP
0.43
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
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)
-3.38
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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