Basic information
- CAS
17364-41-9- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1C=O- InChIKey
RGDIXYRCPLMSGT-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 1-Phenyl-3-methyl-4-formyl-5-pyrazolone
- IUPAC
- 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde
Names & synonyms
17364-41-9RefChem:10563221-Phenyl-3-methyl-4-formyl-5-pyrazolone3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carbaldehyde3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde4-Formyl-3-methyl-1-phenyl-2-pyrazolin-5-one2-Pyrazolin-5-one, 4-formyl-3-methyl-1-phenyl-SCHEMBL5713339DTXSID00938415RGDIXYRCPLMSGT-UHFFFAOYSA-NAKOS002685282AKOS016054800
Show more names
CS-00602751-phenyl-3-methyl-4-formyl-4,5-dihydropyrazol-5-one3-methyl-5-oxo-1-phenyl-2-pyrazoline-4-carboaldehyde3-Methyl-5-oxo-1-phenyl-4,5-dihydropyrazole-4-carbaldehyde
Database identifiers
- CAS
17364-41-9- PubChem CID
- 205106
- DTXSID
DTXSID00938415- Nikkaji
- J51.254K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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