ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-1H-pyrazole-5-carboxylate
Basic information
- CAS
321574-30-5- Standard SMILES
CCOC(=O)c1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl- InChIKey
DTSDHXFVTXFENA-UHFFFAOYSA-N- Molecular formula
- C13H8ClF3N4O2
- Average molar mass
- 344.67 g/mol
Names & identifiers
- Preferred name
- ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazole-5-carboxylate
- English name
- Ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-1H-pyrazole-5-carboxylate
- Molecular formula
- C13H8ClF3N4O2
- Molecular weight
- 344.68
Names & synonyms
321574-30-5ethyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-1H-pyrazole-5-carboxylateethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-cyanopyrazole-3-carboxylateethyl 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-cyano-1H-pyrazole-5-carboxylateEthyl 1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-4-cyano-1H-pyrazole-5-carboxylateAKOS0051018398H-051ethyl1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-cyano-1H-pyrazole-5-carboxylate1H-Pyrazole-5-carboxylic acid, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyano-, ethyl ester
Database identifiers
- CAS
321574-30-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
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Compound notes
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