Structure Info
- Chemspace ID
- CSMB00025789301 (Enamine MADE)
- CAS
- 2137639-23-5
- MFCD
- MFCD30735237
- IUPAC Name
- chloromethyl 4-{[(tert-butoxy)carbonyl]amino}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
- Mol formula
- C12H15ClF3N3O4
- Mol weight
- 358 Da
- Catalog Number(s)
- BBV-110011345, CSC025789301, EN300-387202, FCH9172881
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.11
- Heavy atoms count
- 23
- Rotatable bond count
- 7
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.583
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025789301
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