Basic information
- CAS
3331-54-2- Standard SMILES
C=C(C)C(=O)NC1=NN(c2ccccc2)C(=O)C1- InChIKey
MXLQAWXKAKUDHC-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- N-(4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)methacrylamide
- IUPAC
- 2-methyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)prop-2-enamide
- English name
- N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)methacrylamide
- Molecular formula
- C13H13N3O2
- Molecular weight
- 243.26
Names & synonyms
3331-54-22-methyl-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acrylamideN-(4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-methyl-2-propenamideN-(4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)methacrylamideCBDivE_016128SCHEMBL5427527SCHEMBL9093455CHEMBL1417901DTXSID70954940MXLQAWXKAKUDHC-UHFFFAOYSA-NHMS1579L15HMS2553E03
Show more names
2-Propenamide, N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-2-methyl-
EINECS 222-056-7NCGC00245582-01NS00049542AB00076807-01SR-01000201146SR-01000201146-12-Methyl-N-(5-oxo-1-phenylpyrazolidin-3-ylidene)prop-2-enamide
Database identifiers
- CAS
3331-54-2- PubChem CID
- 76848
- DTXSID
DTXSID70954940- ChEMBL
CHEMBL1417901- EC Number
- 222-056-7
- Nikkaji
- J205.414K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Melting point
- 170 · 170-172 °C
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 9.12 · 9.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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