1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
956504-56-6- Standard SMILES
O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1- InChIKey
WLALNLLKMJDSEF-UHFFFAOYSA-N- Molecular formula
- C16H13N3O
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.10586205
Overview
1-Benzyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde is a pyrazolopyridine. It has a role as an anticoronaviral agent.
Names & identifiers
- Preferred name
- 1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-benzyl-3-pyridin-3-ylpyrazole-4-carbaldehyde
- English name
- 1-BENZYL-3-PYRIDIN-3-YL-1H-PYRAZOLE-4-CARBALDEHYDE
- Molecular formula
- C16H13N3O
- Molecular weight
- 263.29
Names & synonyms
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehydeRefChem:429848979-355-7956504-56-61-benzyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde1-benzyl-3-pyridin-3-ylpyrazole-4-carbaldehydeMLS000772304SMR0003445401-benzyl-3-(3-pyridyl)pyrazole-4-carbaldehydeCHEMBL1548894BDBM47866cid_2497380
Show more names
1-(Benzyl)-3-pyridin-3-yl-1H-pyrazol-4-carbaldehyde1-(Phenylmethyl)-3-(3-pyridinyl)-1H-pyrazole-4-carboxaldehyde
CHEBI:149826DTXSID701332223HMS2708E041H-Pyrazole-4-carboxaldehyde, 1-(phenylmethyl)-3-(3-pyridinyl)-MFCD06356450AKOS001079838SY158031EN300-16575
Database identifiers
- CAS
956504-56-6- PubChem CID
- 2497380
- DTXSID
DTXSID701332223- ChEMBL
CHEMBL1548894- ChEBI
CHEBI:149826- EC Number
- 979-355-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
Solubility25.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 1-Benzyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde is a pyrazolopyridine. It has a role as an anticoronaviral agent.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…