Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
Basic information
- CAS
103626-03-5- Standard SMILES
CCOC(=O)c1cn(C)[nH]c1=O- InChIKey
YWMNONDJOJDGQH-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914219
Names & identifiers
- Preferred name
- Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 2-methyl-5-oxo-1H-pyrazole-4-carboxylate
- English name
- 2,3-dihydro-1-Methyl-3-oxo-1H-Pyrazole-4-carboxylic acid ethyl ester
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
103626-03-5Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylateethyl 3-hydroxy-1-methyl-1H-pyrazole-4-carboxylate3-Hydroxy-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester2,3-Dihydro-1-methyl-3-oxo-1H-pyrazole-4-carboxylic acid ethyl esterethyl 2-methyl-5-oxo-1H-pyrazole-4-carboxylateMFCD16620091Ethyl 1-Methyl-3-oxo-2,3-dihydropyrazole-4-carboxylateSCHEMBL206539191H-Pyrazole-4-carboxylic acid, 2,3-dihydro-1-methyl-3-oxo-, ethyl esterCS-W0226393-Hydroxy-1-methyl-1H-pyrazole-4-carboxylic acidethyl ester
Show more names
Topramezon-002-zz4-Ethoxycarbonyl-3-hydroxy-1-methylpyrazole3-Hydroxy-1-methylpyrazole-4-carboxylic acid ethyl esterEthyl 2,3-dihydro-1-methyl-3-oxo-1H-pyrazol-4-carboxylateEthyl 2,3-dihydro-1-methyl-3-oxo-1H-pyrazole-4-carboxylate
Ethyl1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylateethyl 3-hydroxy-1-methylpyrazole-4-carboxylateSCHEMBL46982083-Hydroxy-1-methyl-1H-pyrazoCHEMBL3740605DTXSID20576232YWMNONDJOJDGQH-UHFFFAOYSA-NMFCD12131137
Database identifiers
- CAS
103626-03-5- PubChem CID
- 15645274
- DTXSID
DTXSID20576232- ChEMBL
CHEMBL3740605
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 144 · 144-146℃
- Density
- 1.235 · 1.235±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- pka
- 7.76 · 7.76±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H317-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
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Compound notes
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