Basic information
- Standard SMILES
Cc1c(C(=O)Nc2ccc(N3CCC(N4CCSCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1- InChIKey
QSFIUDVOUWDIQW-UHFFFAOYSA-N- Molecular formula
- C27H29ClN6OS
- Average molar mass
- 521.1 g/mol
- Monoisotopic mass
- 520.1812084
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-N-[3-cyano-4-(4-thiomorpholinopiperidin-1-yl) phenyl]-5-methylpyrazole-4-carboxamide
- IUPAC
- 1-(4-chlorophenyl)-N-[3-cyano-4-(4-thiomorpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL6052245QSFIUDVOUWDIQW-UHFFFAOYSA-N1-(4-Chlorophenyl)-N-[3-cyano-4-(4-thiomorpholinopiperidin-1-yl) phenyl]-5-methylpyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 22228034
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 786
Related reactions
2 records
Compound notes
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