Ethyl 1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate
Basic information
- CAS
868755-61-7- Standard SMILES
CCOC(=O)c1cc(-c2cccs2)nn1C- InChIKey
MUIUODSZPZJMMP-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Names & identifiers
- Preferred name
- Ethyl 1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 1-methyl-3-thiophen-2-ylpyrazole-5-carboxylate
- English name
- Ethyl 1-methyl-3-thien-2-yl-1H-pyrazole-5-carboxylate
- Molecular formula
- C11H12N2O2S
- Molecular weight
- 236.29
Names & synonyms
868755-61-7Ethyl 1-methyl-3-thien-2-yl-1H-pyrazole-5-carboxylateEthyl 1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylateethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate1H-Pyrazole-5-carboxylicacid, 1-methyl-3-(2-thienyl)-, ethyl esterstarbld0002776SCHEMBL14626023DTXSID00428780SBB098632MS-22205DB-076768ethyl 1-methyl-3-(2-thienyl)pyrazole-5-carboxylate
Show more names
Ethyl 1-methyl-3-thien-2-yl-1H-pyrazole-5-carboxylate 97%1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(2-thienyl)-, ethyl ester
Database identifiers
- CAS
868755-61-7- PubChem CID
- 7537652
- DTXSID
DTXSID00428780
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 72 °C · 72 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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