Basic information
- Standard SMILES
Cc1nn(C)c(-c2ccc(F)cc2Cl)c1NC(=O)[O-]- InChIKey
QEKIQUQJPWKHHA-UHFFFAOYSA-M- Molecular formula
- C12H10ClFN3O2-
- Average molar mass
- 282.68 g/mol
- Monoisotopic mass
- 282.0445574
Names & identifiers
- Preferred name
- N-[5-(2-chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazol-4-yl]carbamate
- IUPAC
- N-[5-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]carbamate
Names & synonyms
QEKIQUQJPWKHHA-UHFFFAOYSA-MN-[5-(2-chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazol-4-yl]carbamate
Database identifiers
- PubChem CID
- 86686302
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- -1
- Complexity
- 341
Related reactions
2 records
Compound notes
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