1-Benzyl-3-methyl-2-pyrazolin-5-one
Basic information
- CAS
946-23-6- Standard SMILES
CC1=NN(Cc2ccccc2)C(=O)C1- InChIKey
MEDQPHZEAUFCTK-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- 1-Benzyl-3-methyl-2-pyrazolin-5-one
- IUPAC
- 2-benzyl-5-methyl-4H-pyrazol-3-one
- English name
- 1-benzyl-3-methyl-2-pyrazolin-5-on
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
946-23-62-Pyrazolin-5-one, 1-benzyl-3-methyl-1-Benzyl-3-methyl-2-pyrazolin-5-one1-Benzyl-3-methylpyrazolone-5BRN 0611140EINECS 213-416-42-Benzyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one5FY2G0M9SN1-Benzyl-3-methyl-5-pyrazoloneDTXSID50241547RefChem:429878DTXCID80164038
Show more names
1-benzyl-3-methyl-2-pyrazolin-5-on1-benzyl-3-methyl-3-pyrazolin-5-one2-(benzyl)-5-methyl-4H-pyrazol-3-one5-methyl-2-(phenylmethyl)-4H-pyrazol-3-one2-BENZYL-5-METHYL-2,4-DIHYDRO-PYRAZOL-3-ONE3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(phenylmethyl)-
1H-PYRAZOL-5-OL, 3-METHYL-1-(PHENYLMETHYL)-1-Benzyl-3-methyl-1H-pyrazol-5(4H)-one2-benzyl-5-methyl-4H-pyrazol-3-one1-benzyl-3-methyl-4,5-dihydro-1H-pyrazol-5-one2-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-oneMFCD00461211UNII-5FY2G0M9SNMLS000389027
Database identifiers
- CAS
946-23-6- PubChem CID
- 70349
- DTXSID
DTXSID50241547- ChEMBL
CHEMBL1304066- EC Number
- 213-416-4
- Nikkaji
- J51.243E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- FDA UNII
- 5 FY2G0M9SN · 5FY2G0M9SN
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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