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Basic information
- CAS
905752-14-9- Standard SMILES
COc1ccc(C#Cc2cnn(C)c2)c(OC)c1F- InChIKey
XDDUZXANTPOVMO-UHFFFAOYSA-N- Molecular formula
- C14H13FN2O2
- Average molar mass
- 260.26 g/mol
- Monoisotopic mass
- 260.09610588
Names & identifiers
- Preferred name
- 4-(2,4-Dimethoxy-3-fluoro-phenylethynyl)-1-methyl-1H-pyrazole
- IUPAC
- 4-[2-(3-fluoro-2,4-dimethoxyphenyl)ethynyl]-1-methylpyrazole
Names & synonyms
SCHEMBL3741158XDDUZXANTPOVMO-UHFFFAOYSA-NDTXSID301172708905752-14-94-(2,4-Dimethoxy-3-fluoro-phenylethynyl)-1-methyl-1H-pyrazole4-[(3-Fluoro-2,4-dimethoxyphenyl)ethynyl]-1-methyl-1H-pyrazole4-[2-(3-Fluoro-2,4-dimethoxyphenyl)ethynyl]-1-methyl-1H-pyrazole
Database identifiers
- CAS
905752-14-9- PubChem CID
- 68768643
- DTXSID
DTXSID301172708
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
3 records
Compound notes
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