Basic information
- CAS
300713-49-9- Standard SMILES
Cc1c(NC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C- InChIKey
DWMYATNYVYYYRY-UHFFFAOYSA-N- Molecular formula
- C18H16FN3O2
- Average molar mass
- 325.3 g/mol
- Monoisotopic mass
- 325.12265492
Names & identifiers
- Preferred name
- N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-benzamide
- IUPAC
- N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluorobenzamide
- English name
- N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-benzamide
- Molecular formula
- C18H16FN3O2
- Molecular weight
- 325.34
Names & synonyms
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-benzamide300713-49-9N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluorobenzamideSMR000015423Oprea1_104551Oprea1_459324MLS000100634CHEMBL1528037HMS2254N03AKOS000595930EU-0002302ST50560795
Show more names
Benzamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-fluoro-
SR-01000406211SR-01000406211-1Z27661934N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(4-fluorophenyl)carboxamide
Database identifiers
- CAS
300713-49-9- PubChem CID
- 748890
- ChEMBL
CHEMBL1528037- EC Number
- 153-042-8
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 11.11 · 11.11±0.20(Predicted)
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%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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