CAS RN: 31272-04-5
1-METHYL-3-N-PROPYL-2-PYRAZOLIN-5-ONE
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.20250709 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31272-04-5
- Purity/Analytical Methods: >99.0%
31272-04-5 / 2-methyl-5-propyl-4H-pyrazol-3-one
Basic Information
CAS
31272-04-5
Multi CAS
Yes
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
InChI
InChI=1S/C7H12N2O/c1-3-4-6-5-7(10)9(2)8-6/h3-5H2,1-2H3
InChIKey
RULINAPACRUGOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.73
TPSA
32.67
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.86
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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