Basic information
- CAS
31272-03-4- Standard SMILES
CCC1=NN(C)C(=O)C1- InChIKey
UIARRXNAPPSDFS-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931295
Names & identifiers
- Preferred name
- 3-ethyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one
- IUPAC
- 5-ethyl-2-methyl-4H-pyrazol-3-one
Names & synonyms
3-ethyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one31272-03-4RefChem:501283850-721-72,4-DIHYDRO-5-ETHYL-2-METHYL-3H-PYRAZOL-3-ONEMFCD097494625-ETHYL-2-METHYL-4H-PYRAZOL-3-ONESCHEMBL17522580GBA27203AKOS008956629EN300-101991G22389
Show more names
3H-Pyrazol-3-one, 5-ethyl-2,4-dihydro-2-methyl-Z50146895
Database identifiers
- CAS
31272-03-4- PubChem CID
- 12894100
- EC Number
- 850-721-7
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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