5-(2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-[(S)-tetrahydrofuran-3-yl]-1H-pyrazole-4-carboxylate
Basic information
- Standard SMILES
CC1(C)OB(c2cc(F)c(-c3c(C(=O)[O-])cnn3[C@H]3CCOC3)cc2F)OC1(C)C- InChIKey
MMTGYHZZSYPQQW-NSHDSACASA-M- Molecular formula
- C20H22BF2N2O5-
- Average molar mass
- 419.2 g/mol
- Monoisotopic mass
- 419.1589833
Names & identifiers
- Preferred name
- 5-(2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-[(S)-tetrahydrofuran-3-yl]-1H-pyrazole-4-carboxylate
- IUPAC
- 5-[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate
Names & synonyms
MMTGYHZZSYPQQW-NSHDSACASA-M5-(2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-[(S)-tetrahydrofuran-3-yl]-1H-pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 86686397
Properties
Computed structural properties
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- -1
- Complexity
- 648
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Related reactions
1 records
Compound notes
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