2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Basic information
- CAS
775292-21-2- Standard SMILES
Cc1cc(C)nc(N2N=C(C(F)(F)F)CC2=O)n1- InChIKey
XTSCTOOZDXJRLK-UHFFFAOYSA-N- Molecular formula
- C10H9F3N4O
- Average molar mass
- 258.2 g/mol
- Monoisotopic mass
- 258.07284541
Names & identifiers
- Preferred name
- 2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one
Names & synonyms
2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one775292-21-2MLS000780048CHEMBL1561352DTXSID701326579HMS2786I192-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-4H-pyrazol-3-oneSTK789570AKOS000634593CCG-122740SMR0004202311-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
Show more names
2-(4,6-Dimethyl-pyrimidin-2-yl)-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one
Database identifiers
- CAS
775292-21-2- PubChem CID
- 4890845
- DTXSID
DTXSID701326579- ChEMBL
CHEMBL1561352
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
Solubility30.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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