Basic information
- Standard SMILES
CC(C)OCc1nn(-c2ncccc2F)cc1C(=O)OC(C)C- InChIKey
XPVZNUZPMYBKPC-UHFFFAOYSA-N- Molecular formula
- C16H20FN3O3
- Average molar mass
- 321.35 g/mol
Names & identifiers
- Preferred name
- Isopropyl 1-(3-fluoro-2-pyridyl)-3-(isopropoxymethyl)pyrazole-4-carboxylate
- IUPAC
- propan-2-yl 1-(3-fluoro-2-pyridinyl)-3-(propan-2-yloxymethyl)pyrazole-4-carboxylate
Names & synonyms
SCHEMBL1804749XPVZNUZPMYBKPC-UHFFFAOYSA-Nisopropyl 1-(3-fluoro-2-pyridyl)-3-(isopropoxymethyl)pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 67167393
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
3 records
Compound notes
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