CAS RN: 725746-81-6
1-Isobutyl-1H-pyrazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 250mg / 1g / 5g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS725746-81-6
- Purity/Analytical Methods: >99.0%
725746-81-6 / 1-(2-methylpropyl)pyrazole
Basic Information
CAS
725746-81-6
Multi CAS
No
Molecular Formula
C7H12N2
Molecular Weight
124.180000
Exact Mass
124.100048
InChI
InChI=1S/C7H12N2/c1-7(2)6-9-5-3-4-8-9/h3-5,7H,6H2,1-2H3
InChIKey
HGZORUNWJQFEJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
37.06
TPSA
17.82
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
0.9
Consensus LogP
1.26
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.38
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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