![CAS 1282606-48-7 1H-Pyrazole-3-carboxamide, 5-[1-[(4-fluorophenyl)methyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]-N-(3-pyridinylmethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282606-48-7.gif)
CAS RN: 1282606-48-7
1H-Pyrazole-3-carboxamide, 5-[1-[(4-fluorophenyl)methyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]-N-(3-pyridinylmethyl)-
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.20250404 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1282606-48-7
- Purity/Analytical Methods: >99.0%
1282606-48-7 / 3-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
Basic Information
CAS
1282606-48-7
Multi CAS
No
Molecular Formula
C19H16FN7O2
Molecular Weight
393.400000
Exact Mass
393.134951
SMILES
C1=CC(=CN=C1)CNC(=O)C2=CC(=NN2)N3C=NN(C3=O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H16FN7O2/c20-15-5-3-13(4-6-15)11-27-19(29)26(12-23-27)17-8-16(24-25-17)18(28)22-10-14-2-1-7-21-9-14/h1-9,12H,10-11H2,(H,22,28)(H,24,25)
InChIKey
FAIXKYSRYKWWGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
22
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
100.88
TPSA
110.49
LogP / Solubility
WLOGP
1.27
MLOGP
1.14
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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