CAS RN: 61255-82-1
1H-Pyrazole-1-propanenitrile,5-amino-3-methyl-(9CI)
- Product code: SSC-170047
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 | Hong Kong | Inquiry |
61255-82-1 / 3-(5-amino-3-methylpyrazol-1-yl)propanenitrile
Basic Information
CAS
61255-82-1
Multi CAS
No
Molecular Formula
C7H10N4
Molecular Weight
150.180000
Exact Mass
150.090546
InChI
InChI=1S/C7H10N4/c1-6-5-7(9)11(10-6)4-2-3-8/h5H,2,4,9H2,1H3
InChIKey
GLVQDYSGMRVBBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.61
TPSA
67.63
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
-0.1
Consensus LogP
0.4
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.15
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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