3-cyclopropyl-1-(mesitylsulfonyl)-1H-pyrazole
Basic information
- CAS
956393-76-3- Standard SMILES
Cc1cc(C)c(S(=O)(=O)n2ccc(C3CC3)n2)c(C)c1- InChIKey
TVGBLIISQLGMJL-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.10889899
Names & identifiers
- Preferred name
- 3-cyclopropyl-1-(mesitylsulfonyl)-1H-pyrazole
- IUPAC
- 3-cyclopropyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
- English name
- 3-Cyclopropyl-1-(mesitylsulfonyl)-1H-pyrazole
- Molecular formula
- C15H18N2O2S
- Molecular weight
- 290.38
Names & synonyms
956393-76-33-cyclopropyl-1-(mesitylsulfonyl)-1H-pyrazole3-cyclopropyl-1-(2,4,6-trimethylbenzenesulfonyl)-1H-pyrazole3-cyclopropyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole3-cyclopropyl-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazoleDTXSID001180754MFCD03305903AKOS0051041589T-02033-Cyclopropyl-1-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-pyrazole3-Cyclopropyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-1H-pyrazole1H-Pyrazole, 3-cyclopropyl-1-[(2,4,6-trimethylphenyl)sulfonyl]-
Database identifiers
- CAS
956393-76-3- PubChem CID
- 3693660
- DTXSID
DTXSID001180754
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 471.9 · 471.9±55.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -4.08 · -4.08±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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