Stk064286
Basic information
- CAS
4590-79-8- Standard SMILES
CC1=NN(C(=O)c2ccccc2)C(C)(C)C1- InChIKey
VNANOPQDFPYYLB-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Names & identifiers
- Preferred name
- Stk064286
- IUPAC
- phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone
Names & synonyms
4590-79-8STK064286DTXSID90320325RefChem:382089DTXCID70271447phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanonephenyl(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methanoneNSC357925BAS 003997301-benzoyl-3,5,5-trimethyl-4,5-dihydro-1H-pyrazoleAKOS005388174NSC-357925
Show more names
AS-662/40002176SR-01000312519SR-01000312519-1
Database identifiers
- CAS
4590-79-8- PubChem CID
- 337903
- DTXSID
DTXSID90320325
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…