Basic information
- CAS
100135-00-0- Standard SMILES
CC(C)C1C(=O)NN(c2ccccc2)C1=O- InChIKey
JIPBINSRJUDMTK-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-
- IUPAC
- 1-phenyl-4-propan-2-ylpyrazolidine-3,5-dione
Names & synonyms
3,5-Pyrazolidinedione, 4-isopropyl-1-phenyl-100135-00-0RefChem:10659994-Isopropyl-1-phenyl-3,5-pyrazolidinedioneBRN 01879784-Isopropyl-1-phenyl-3,5-dioxopyrazolidine4-24-00-01111 (Beilstein Handbook Reference)DTXSID209052205-Hydroxy-2-phenyl-4-(propan-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
100135-00-0- PubChem CID
- 3063232
- DTXSID
DTXSID20905220- Nikkaji
- J57.841J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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