Phenyl 3-tert-butyl-1-(4-fluorophenyl)-1h-pyrazol-5-ylcarbamate

HCID 46196891

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

Related reactions

4 records

Compound notes

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