Basic information
- CAS
1020722-56-8- Standard SMILES
CCOC(=O)c1cc(CC(C)C)nn1CC- InChIKey
PAOWHLGOIRHNRR-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxylate
- English name
- 1-Ethyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid ethyl ester
- Molecular formula
- C12H20N2O2
- Molecular weight
- 224.3
Names & synonyms
1020722-56-8Ethyl 1-ethyl-3-isobutyl-1H-pyrazole-5-carboxylateethyl 1-ethyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylate1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(2-methylpropyl)-, ethyl ester1-Ethyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid ethyl esterethyl 2-ethyl-5-(2-methylpropyl)pyrazole-3-carboxylate
Database identifiers
- CAS
1020722-56-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Chemistry & industry
Suppliers1 total
南京凯姆铂医药科技有限公司025-66162170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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