1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylthio)-, ethyl ester
Basic information
- CAS
117378-01-5- Standard SMILES
CCOC(=O)c1cnn(-c2cccc(C)c2)c1SC- InChIKey
SHRLBQOVPXHAJZ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2S
- Average molar mass
- 276.36 g/mol
- Monoisotopic mass
- 276.09324893
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylthio)-, ethyl ester
- IUPAC
- ethyl 1-(3-methylphenyl)-5-methylsulfanylpyrazole-4-carboxylate
Names & synonyms
117378-01-51H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylthio)-, ethyl esterEthyl 1-(3-methylphenyl)-5-(methylthio)-1H-pyrazole-4-carboxylateDTXSID2073809RefChem:240011DTXCID5033416ethyl 1-(3-methylphenyl)-5-(methylsulfanyl)-1H-pyrazole-4-carboxylateethyl 1-(3-methylphenyl)-5-methylsulfanylpyrazole-4-carboxylate
Database identifiers
- CAS
117378-01-5- PubChem CID
- 164035
- DTXSID
DTXSID2073809
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…