Basic information
- Standard SMILES
CCOC(=O)c1nn(C)cc1C(=O)O- InChIKey
AZTXIGAYTZEAJR-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
Names & identifiers
- Preferred name
- 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 3-ethoxycarbonyl-1-methylpyrazole-4-carboxylic acid
Names & synonyms
3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid1174830-89-7MFCD106990653-ethoxycarbonyl-1-methylpyrazole-4-carboxylic acid3-(ethoxycarbonyl)-1-methylpyrazole-4-carboxylic acidSCHEMBL2385094AZTXIGAYTZEAJR-UHFFFAOYSA-N1H-Pyrazole-3,4-dicarboxylic acid, 1-methyl-, 3-ethyl esterZWB83089SBB026821STK510232AKOS005168673
Show more names
ST101499CS-0241278ST45135574EN300-232123H36436F4281893-ethoxycarbonyl-1-methyl-pyrazole-4-carboxylic acid1-methyl-1H-pyrazole-3,4-dicarboxylic acid 3-ethyl ester
Database identifiers
- PubChem CID
- 45600696
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
2 records
Compound notes
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