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 | Beijing | Inquiry |
1172943-41-7 / 5-cyclopropyl-1-propylpyrazol-3-amine
5-cyclopropyl-1-propyl-1H-pyrazol-3-amine | MFCD09859191 | 5-cyclopropyl-1-propylpyrazol-3-amine
Basic Information
CAS
1172943-41-7
Multi CAS
No
Molecular Formula
C9H15N3
Molecular Weight
165.240000
Exact Mass
165.126597
SMILES
CCCN1C(=CC(=N1)N)C2CC2
InChI
InChI=1S/C9H15N3/c1-2-5-12-8(7-3-4-7)6-9(10)11-12/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKey
DBOVIXRKPIAKAT-UHFFFAOYSA-N
Synonyms
5-cyclopropyl-1-propyl-1H-pyrazol-3-amine
MFCD09859191
5-cyclopropyl-1-propylpyrazol-3-amine
5-cyclopropyl-1-propyl-pyrazol-3-amine
5-cyclopropyl-1-propylpyrazole-3-ylamine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.91
TPSA
43.84
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.3
Consensus LogP
1.53
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.48
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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