Basic information
- Standard SMILES
Cc1c(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)cnn1-c1ccc(F)cc1- InChIKey
FCAHWRQLUMRIPF-UHFFFAOYSA-N- Molecular formula
- C22H21FN4O2
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.16485409
Names & identifiers
- Preferred name
- N-(3-Cyano-4-isobutoxyphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
- IUPAC
- N-[3-cyano-4-(2-methylpropoxy)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL6052139FCAHWRQLUMRIPF-UHFFFAOYSA-NN-(3-Cyano-4-isobutoxyphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 9821873
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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