CAS RN: 1566287-80-6
1-CYCLOPENTYL-1H-PYRAZOL-5-OL
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.20260125 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1566287-80-6
- Purity/Analytical Methods: >99.0%
1566287-80-6 / 2-cyclopentyl-1H-pyrazol-3-one
Basic Information
CAS
1566287-80-6
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
C1CCC(C1)N2C(=O)C=CN2
InChI
InChI=1S/C8H12N2O/c11-8-5-6-9-10(8)7-3-1-2-4-7/h5-7,9H,1-4H2
InChIKey
BGTATQOVHCRNRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.56
TPSA
37.79
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
1.2
Consensus LogP
1.21
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.73
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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