Basic information
- Standard SMILES
CC1(C)OB(c2cnn(Cc3cc(F)ccc3F)c2)OC1(C)C- InChIKey
FHFUFFKAVJDRLL-UHFFFAOYSA-N- Molecular formula
- C16H19BF2N2O2
- Average molar mass
- 320.1 g/mol
- Monoisotopic mass
- 320.1507643
Names & identifiers
- Preferred name
- 1H-Pyrazole, 1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- IUPAC
- 1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Names & synonyms
1430751-16-81H-Pyrazole, 1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,5-difluorobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-(2,5-Difluorobenzyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazoleSCHEMBL14857667FHFUFFKAVJDRLL-UHFFFAOYSA-NCS-0177039H28175A1-058261-[(2,5-difluorophenyl)methyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-[(2,5-difluorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Database identifiers
- PubChem CID
- 89498024
Properties
Computed structural properties
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
1 records
Compound notes
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