ethyl 5-methoxy-1H-pyrazole-3-carboxylate
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Basic information
- CAS
180518-75-6- Standard SMILES
CCOC(=O)c1cc(OC)[nH]n1- InChIKey
LLRPCBOQOBERTJ-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914219
Names & identifiers
- Preferred name
- ethyl 5-methoxy-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 3-methoxy-1H-pyrazole-5-carboxylate
- English name
- 1H-Pyrazole-3-carboxylicacid,5-methoxy-,ethylester(9CI)
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
180518-75-6ethyl 5-methoxy-1H-pyrazole-3-carboxylateethyl 3-methoxy-1H-pyrazole-5-carboxylate1H-Pyrazole-3-carboxylicacid,5-methoxy-,ethylester(9CI)SCHEMBL5618892SCHEMBL27256360LLRPCBOQOBERTJ-UHFFFAOYSA-NMFCD18828304AKOS026716200NS-01381F972735-Methoxy-1H-pyrazole-3-carboxylic acid ethyl ester
Show more names
5-Methoxy-1H-pyrazol-3-carboxylic acid ethyl ester1H-Pyrazole-3-carboxylic acid, 5-methoxy-, ethyl ester
F2147-3090
Database identifiers
- CAS
180518-75-6- PubChem CID
- 21057707
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 328.1 · 328.1±22.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.10(Predicted)
Related reactions
3 records
Compound notes
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