4-[(Dimethylamino)methylene]-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
Basic information
- CAS
4942-70-5- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1=CN(C)C- InChIKey
ZKMQJGARZNSQNV-UHFFFAOYSA-N- Molecular formula
- C13H15N3O
- Average molar mass
- 229.28 g/mol
- Monoisotopic mass
- 229.12151211
Names & identifiers
- Preferred name
- 4-[(Dimethylamino)methylene]-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
- IUPAC
- 4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
Names & synonyms
4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one65644-13-54-[(dimethylamino)methylene]-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one4-[(dimethylamino)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-oneMaybridge1_001481SCHEMBL444648AKOS0302426111-phenyl-3-methyl-4-dimethylaminomethylene-5-pyrazolone4-(dimethylaminomethylene)-5-methyl-2-phenyl-pyrazol-3-one
Database identifiers
- CAS
4942-70-5- PubChem CID
- 99042
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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