Ethyl 4-[(3,5-dichlorophenyl)sulfanyl]-5-ethyl-1-(2-hydroxyethyl)-1H-pyrazole-3-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1nn(CCO)c(CC)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
VLRNZCWPBDUVRY-UHFFFAOYSA-N- Molecular formula
- C16H18Cl2N2O3S
- Average molar mass
- 389.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(3,5-dichlorophenyl)sulfanyl]-5-ethyl-1-(2-hydroxyethyl)-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylate
Names & synonyms
SCHEMBL5751439VLRNZCWPBDUVRY-UHFFFAOYSA-NEthyl 4-[(3,5-dichlorophenyl)sulfanyl]-5-ethyl-1-(2-hydroxyethyl )-1H-pyrazole-3-carboxylateEthyl 4-[(3,5-dichlorophenyl)sulfanyl]-5-ethyl-1-(2-hydroxyethyl)-1H-pyrazole-3-carboxylate
Database identifiers
- PubChem CID
- 10200330
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 409
Related reactions
8 records
Compound notes
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