![CAS 189116-35-6 2-Methylpyrazolo[1,5-a]pyriMidin-5-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/189116-35-6.gif)
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
189116-35-6 / 2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
Basic Information
CAS
189116-35-6
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
CC1=NN2C=CC(=O)NC2=C1
InChI
InChI=1S/C7H7N3O/c1-5-4-6-8-7(11)2-3-10(6)9-5/h2-4H,1H3,(H,8,11)
InChIKey
MRJRGRLUNFIVEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.55
TPSA
50.16
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
0.1
Consensus LogP
0.24
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.39
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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