Basic information
- Standard SMILES
Cc1c(C(=O)Nc2ccc(N3CCN(CCO)CC3)c(C#N)c2)cnn1-c1cccc(Cl)c1- InChIKey
NQDOVOODYXQFME-UHFFFAOYSA-N- Molecular formula
- C24H25ClN6O2
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 464.1727518
Names & identifiers
- Preferred name
- 1-(3-chlorophenyl)-N-{3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide
- IUPAC
- 1-(3-chlorophenyl)-N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL6052243NQDOVOODYXQFME-UHFFFAOYSA-N1-(3-chlorophenyl)-N-{3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 22228097
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 708
Related reactions
2 records
Compound notes
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