Basic information
- CAS
60178-94-1- Standard SMILES
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1C- InChIKey
VYWCMILBLGMHDX-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- ethyl 4-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Names & synonyms
60178-94-1ethyl 4-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxylateNSC278752DTXSID70313937NSC-278752Ethyl 4-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
Database identifiers
- CAS
60178-94-1- PubChem CID
- 322258
- DTXSID
DTXSID70313937
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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