3,4-Dimethyl-5-methylsulfanyl-1-phenylpyrazole
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Basic information
- Standard SMILES
CSc1c(C)c(C)nn1-c1ccccc1- InChIKey
AZKUMKIWHVOOLL-UHFFFAOYSA-N- Molecular formula
- C12H14N2S
- Average molar mass
- 218.32 g/mol
- Monoisotopic mass
- 218.08776963
Names & identifiers
- Preferred name
- 3,4-Dimethyl-5-methylsulfanyl-1-phenylpyrazole
- IUPAC
- 3,4-dimethyl-5-methylsulfanyl-1-phenylpyrazole
Names & synonyms
NSC619162CHEMBL1974316NSC-619162NCI60_005699
Database identifiers
- PubChem CID
- 358969
- ChEMBL
CHEMBL1974316
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
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Compound notes
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