CAS RN: 145091-91-4
5-PHENYL-1H-PYRAZOL-3-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.20250904 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS145091-91-4
- Purity/Analytical Methods: >99.0%
145091-91-4 / 5-phenyl-1,2-dihydropyrazol-3-one
Basic Information
CAS
145091-91-4
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
C1=CC=C(C=C1)C2=CC(=O)NN2
InChI
InChI=1S/C9H8N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChIKey
YLHCQNBWOZXHIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
46.85
TPSA
48.65
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.72
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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