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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1390654-83-7 / 1-propylpyrazol-4-amine;hydrochloride
Basic Information
CAS
1390654-83-7
Multi CAS
No
Molecular Formula
C6H12ClN3
Molecular Weight
161.630000
Exact Mass
161.071975
SMILES
CCCN1C=C(C=N1)N.Cl
InChI
InChI=1S/C6H11N3.ClH/c1-2-3-9-5-6(7)4-8-9;/h4-5H,2-3,7H2,1H3;1H
InChIKey
HEKOSZRTFFCROP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.18
TPSA
43.84
LogP / Solubility
WLOGP
1.3
MLOGP
1.14
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-2.79
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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.gif)
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