Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 1g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 1 In Stock | Beijing | Inquiry |
131654-77-8 / 3-(5-aminopyrazol-1-yl)propan-1-ol
Basic Information
CAS
131654-77-8
Multi CAS
No
Molecular Formula
C6H11N3O
Molecular Weight
141.170000
Exact Mass
141.090212
SMILES
C1=C(N(N=C1)CCCO)N
InChI
InChI=1S/C6H11N3O/c7-6-2-3-8-9(6)4-1-5-10/h2-3,10H,1,4-5,7H2
InChIKey
AZIDKZMGXDXIQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.34
TPSA
64.07
LogP / Solubility
WLOGP
-0.15
MLOGP
-0.14
XLogP3
-0.5
Consensus LogP
-0.26
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
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)
-3.69
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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