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Basic information
- CAS
5496-04-8- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1=CN1CCCCC1- InChIKey
CPRWWCPKEGAJNJ-UHFFFAOYSA-N- Molecular formula
- C16H19N3O
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.15281224
Names & identifiers
- Preferred name
- 5-Methyl-2-phenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one
- IUPAC
- 5-methyl-2-phenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one
Names & synonyms
DTXSID101350495
Database identifiers
- CAS
5496-04-8- PubChem CID
- 200014
- DTXSID
DTXSID101350495
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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