Basic information
- Standard SMILES
CON(C(=O)c1cn(C)nc1C(F)F)C(C)C1CCC(C)=CC1(C)C- InChIKey
PVSNACCGHQJHRT-UHFFFAOYSA-N- Molecular formula
- C18H27F2N3O2
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid methoxy-[1-(2,2,4-trimethyl-cyclohex-3-enyl)-ethyl]-amide
- IUPAC
- 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide
Names & synonyms
3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid methoxy-[1-(2,2,4-trimethyl-cyclohex-3-enyl)-ethyl]-amideSCHEMBL2304591
Database identifiers
- PubChem CID
- 86675337
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
Related reactions
3 records
Compound notes
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