Basic information
- Standard SMILES
CCCCN(CCCC)C(=O)c1nn(-c2ccc(OC)cc2C#N)c(C)c1Cl- InChIKey
ZAEXJBLCXLWIJP-UHFFFAOYSA-N- Molecular formula
- C21H27ClN4O2
- Average molar mass
- 402.9 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-1-(2-cyano-4-methoxy-phenyl)-5-methyl-1H-pyrazole-3-carboxylic acid dibutylamide
- IUPAC
- N,N-dibutyl-4-chloro-1-(2-cyano-4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
Names & synonyms
SCHEMBL15057345ZAEXJBLCXLWIJP-UHFFFAOYSA-N4-Chloro-1-(2-cyano-4-methoxy-phenyl)-5-methyl-1H-pyrazole-3-carboxylic acid dibutylamide
Database identifiers
- PubChem CID
- 89649586
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
4 records
Compound notes
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