4-[[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine
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Basic information
- Standard SMILES
Cc1nn(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)c1Cc1ccncc1- InChIKey
OPLKUWLCOHVKMH-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2N3S
- Average molar mass
- 392.3 g/mol
- Monoisotopic mass
- 391.0676742
Names & identifiers
- Preferred name
- 4-[[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine
- IUPAC
- 4-[[5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine
Names & synonyms
SCHEMBL5244652SCHEMBL5244657OPLKUWLCOHVKMH-UHFFFAOYSA-N1H-Pyrazole, 5-[(3,5-dichlorophenyl)thio]-1-isopropyl-3-methyl-4-[(4-pyridinyl)methyl]-4-[[5-(3,5-dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methyl]pyridine4-[5-(3,5-dichloro-phenylsulfanyl)-1-isopropyl-3-methyl-1H-pyrazol-4-ylmethyl]-pyridine
Database identifiers
- PubChem CID
- 9908511
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 409
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Related reactions
3 records
Compound notes
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