Basic information
- CAS
17605-90-2- Standard SMILES
Cc1cc(C(=O)n2nc(C)cc2C)on1- InChIKey
CWGQMMOHRBBHGE-UHFFFAOYSA-N- Molecular formula
- C10H11N3O2
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.0851266
Names & identifiers
- Preferred name
- Pyrazole, 3,5-dimethyl-1-(3-methyl-5-isoxazolylcarbonyl)-
- IUPAC
- (3,5-dimethylpyrazol-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
- English name
- 3,5-Dimethyl-1-[(3-methyl-5-isoxazolyl)carbonyl]-1H-pyrazole
- Molecular formula
- C10H11N3O2
- Molecular weight
- 205.21
Names & synonyms
17605-90-2BRN 1114264Pyrazole, 3,5-dimethyl-1-(3-methyl-5-isoxazolylcarbonyl)-3,5-Dimethyl-1-(3-methyl-5-isoxazolylcarbonyl)pyrazoleDTXSID60170076RefChem:376064DTXCID7092567(3,5-dimethylpyrazol-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone3,5-Dimethyl-1-[(3-methyl-5-isoxazolyl)carbonyl]-1H-pyrazole(3,5-Dimethyl-1H-pyrazol-1-yl)(3-methylisoxazol-5-yl)methanone(3,5-dimethyl-1H-pyrazol-1-yl)(3-methyl-1,2-oxazol-5-yl)methanoneMethanone, (3,5-dimethyl-1H-pyrazol-1-yl)(3-methyl-5-isoxazolyl)-
Database identifiers
- CAS
17605-90-2- PubChem CID
- 205207
- DTXSID
DTXSID60170076- Nikkaji
- J51.218D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 400.2 · 400.2±47.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -1.46 · -1.46±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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