2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one
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Basic information
- CAS
31197-09-8- Standard SMILES
CCC(=O)C1C(=O)N(c2ccccc2)N=C1C- InChIKey
HFGTVPSCLRKMJX-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 2,4-Dihydro-5-methyl-2-phenyl-4-propionyl-3H-pyrazol-3-one
- IUPAC
- 5-methyl-2-phenyl-4-propanoyl-4H-pyrazol-3-one
- English name
- 2,4-DIHYDRO-5-METHYL-2-PHENYL-4-PROPIONYL-3H-PYRAZOL-3-ONE
- Molecular formula
- C13H14N2O2
- Molecular weight
- 230.26
Names & synonyms
31197-09-82,4-DIHYDRO-5-METHYL-2-PHENYL-4-PROPIONYL-3H-PYRAZOL-3-ONEDTXSID50345993RefChem:246476DTXCID702970665-Methyl-2-phenyl-4-propionyl-2,4-dihydro-3H-pyrazol-3-one2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-propionyl-SCHEMBL12309402HFGTVPSCLRKMJX-UHFFFAOYSA-N3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxopropyl)-2-phenyl-5-Methyl-2-phenyl-4-propanoyl-2,4-dihydro-3H-pyrazol-3-one5-Methyl-2-phenyl-4-propionyl-2,4-dihydro-3H-pyrazol-3-one #
Show more names
3-Methyl-1-phenyl-4-propionyl-2-pyrazolin-5-one5-methyl-2-phenyl-4-propanoyl-4H-pyrazol-3-one2-Pyrazolin-5-one,3-methyl-1-phenyl-4-propionyl-2-Phenyl-4-propanoyl-5-methyl-2H-pyrazole-3(4H)-one1-Phenyl-3-methyl-4-propionyl-1H-pyrazole-5(4H)-one2,4-Dihydro-5-methyl-4-(1-oxopropyl)-2-phenyl-3H-pyrazol-3-one
Database identifiers
- CAS
31197-09-8- PubChem CID
- 608595
- DTXSID
DTXSID50345993- EC Number
- 151-076-8
- Nikkaji
- J114.510J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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