Basic information
- Standard SMILES
CCn1nccc1OC(=O)c1ccc(Cl)c(-c2cc(C(C)=O)nn2C)c1Cl- InChIKey
CLKJPPYOVFJVSV-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2N4O3
- Average molar mass
- 407.2 g/mol
Names & identifiers
- Preferred name
- (1-ethylpyrazol-5-yl) 2,4-dichloro-3-(1-methyl-3-methylcarbonyl-1H-pyrazol-5-yl)benzoate
- IUPAC
- (2-ethylpyrazol-3-yl) 3-(3-acetyl-1-methylpyrazol-5-yl)-2,4-dichlorobenzoate
Names & synonyms
SCHEMBL8142174CLKJPPYOVFJVSV-UHFFFAOYSA-N(1-ethylpyrazol-5-yl) 2,4-dichloro-3-(1-methyl-3-methylcarbonyl-1H-pyrazol-5-yl)benzoate
Database identifiers
- PubChem CID
- 53727367
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 567
Related reactions
3 records
Compound notes
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