Basic information
- CAS
70373-49-8- Standard SMILES
Cc1c(NC(=O)CC#N)c(=O)n(-c2ccccc2)n1C- InChIKey
VQWWWBVRTVXZKJ-UHFFFAOYSA-N- Molecular formula
- C14H14N4O2
- Average molar mass
- 270.29 g/mol
- Monoisotopic mass
- 270.11167569
Names & identifiers
- Preferred name
- 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
- IUPAC
- 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
- English name
- 2-CYANO-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-ACETAMIDE
- Molecular formula
- C14H14N4O2
- Molecular weight
- 270.29
Names & synonyms
2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide70373-49-8DTXSID90351194RefChem:259641DTXCID303022612-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamideMFCD01344359Oprea1_427205Oprea1_481164CHEMBL484056SCHEMBL31488466ALBB-008559
Show more names
Acetamide, 2-cyano-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
SBB015806STK414971AKOS000270704SDCCGSBI-0660174.P001NCGC00171006-01LS-02939CS-0219615EN300-04477
Database identifiers
- CAS
70373-49-8- PubChem CID
- 693172
- DTXSID
DTXSID90351194- ChEMBL
CHEMBL484056- EC Number
- 171-546-6
- Nikkaji
- J3.100.767D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- HazardClass
- IRRITANT
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, P317, 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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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