ethyl 1-ethyl-4-methyl-1H-pyrazole-3-carboxylate
Basic information
- CAS
1092394-31-4- Standard SMILES
CCOC(=O)c1nn(CC)cc1C- InChIKey
NEYGIAFEBKQUCZ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- ethyl 1-ethyl-4-methyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 1-ethyl-4-methylpyrazole-3-carboxylate
Names & synonyms
ethyl 1-ethyl-4-methyl-1H-pyrazole-3-carboxylate1092394-31-4SCHEMBL3677606NEYGIAFEBKQUCZ-UHFFFAOYSA-NDTXSID501238938
Database identifiers
- CAS
1092394-31-4- PubChem CID
- 57749287
- DTXSID
DTXSID501238938
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
3 records
Compound notes
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