Basic information
- Standard SMILES
Cn1nccc1-c1cc(NC(=O)OC(C)(C)C)ccc1OC(F)(F)F- InChIKey
NVWDXVDEZKTYOO-UHFFFAOYSA-N- Molecular formula
- C16H18F3N3O3
- Average molar mass
- 357.33 g/mol
Names & identifiers
- Preferred name
- [3-(2-methyl-2H-pyrazol-3-yl)-4-trifluoromethoxy-phenyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-(2-methylpyrazol-3-yl)-4-(trifluoromethoxy)phenyl]carbamate
Names & synonyms
[3-(2-methyl-2H-pyrazol-3-yl)-4-trifluoromethoxy-phenyl]-carbamic acid tert-butyl esterSCHEMBL5577961
Database identifiers
- PubChem CID
- 69494845
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Related reactions
4 records
Compound notes
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