![CAS 1187450-76-5 N-[4-(1H-pyrazol-1-yl)benzyl]pyridine-3-sulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187450-76-5.gif)
CAS RN: 1187450-76-5
N-[4-(1H-pyrazol-1-yl)benzyl]pyridine-3-sulfonamide
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 250mg / 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1187450-76-5
- Purity/Analytical Methods: >99.0%
1187450-76-5 / N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide
N-(4-(1H-PYRAZOL-1-YL)BENZYL)PYRIDINE-3-SULFONAMIDE | N-[4-(1H-pyrazol-1-YL)benzyl]pyridine-3-sulfonamide | SCHEMBL533533
Basic Information
CAS
1187450-76-5
Multi CAS
No
Molecular Formula
C15H14N4O2S
Molecular Weight
314.400000
Exact Mass
314.083747
SMILES
C1=CC(=CN=C1)S(=O)(=O)NCC2=CC=C(C=C2)N3C=CC=N3
InChI
InChI=1S/C15H14N4O2S/c20-22(21,15-3-1-8-16-12-15)18-11-13-4-6-14(7-5-13)19-10-2-9-17-19/h1-10,12,18H,11H2
InChIKey
RQMOEJCTBHVAEL-UHFFFAOYSA-N
Synonyms
N-(4-(1H-PYRAZOL-1-YL)BENZYL)PYRIDINE-3-SULFONAMIDE
N-[4-(1H-pyrazol-1-YL)benzyl]pyridine-3-sulfonamide
SCHEMBL533533
AT36252
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.83
TPSA
76.88
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.3
Consensus LogP
1.53
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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