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Basic information
- CAS
30979-40-9- Standard SMILES
CCOC(=O)CN1N=C(C)CC1=O- InChIKey
AORQAQWNIWSOSG-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.08479224
Names & identifiers
- Preferred name
- Ethyl (3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetate
- IUPAC
- ethyl 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)acetate
Names & synonyms
30979-40-9Ethyl (3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetateOprea1_521679SCHEMBL11920882AORQAQWNIWSOSG-UHFFFAOYSA-NDTXSID401210096AKOS012580765DA-34530AN-742/37279043Z1117910431Ethyl 4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-acetateEthyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetate
Show more names
Ethyl-2-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)acetate
Database identifiers
- CAS
30979-40-9- PubChem CID
- 5085836
- DTXSID
DTXSID401210096- Nikkaji
- J1.271.516A
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Related reactions
2 records
Compound notes
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