Basic information
- Standard SMILES
CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccc(F)cc2)n1- InChIKey
ZZIPMAITDYMCKF-UHFFFAOYSA-N- Molecular formula
- C20H20FN3O2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.15395505
Names & identifiers
- Preferred name
- Phenyl 3-tert-butyl-1-(4-fluorophenyl)-1h-pyrazol-5-ylcarbamate
- IUPAC
- phenyl N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamate
Names & synonyms
SCHEMBL1793950ZZIPMAITDYMCKF-UHFFFAOYSA-Nphenyl 3-tert-butyl-1-(4-fluorophenyl)-1h-pyrazol-5-ylcarbamate871557-51-6DB-343963phenyl 3-tert-butyl-1-(4-fluorophenyl)-1H-pyrazol-5-yl-carbamate[5-tert-butyl-2-(4-fluoro-phenyl)-2-H-pyrazol-3-yl]carbamic acid phenyl ester
Database identifiers
- PubChem CID
- 46196891
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Related reactions
4 records
Compound notes
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