Basic information
- CAS
182923-62-2- Standard SMILES
N#Cc1c(C(F)(F)F)nn(C2CCCCC2)c1N- InChIKey
FZSAPWUKAPTRRK-UHFFFAOYSA-N- Molecular formula
- C11H13F3N4
- Average molar mass
- 258.24 g/mol
- Monoisotopic mass
- 258.10923092
Names & identifiers
- Preferred name
- 5-Amino-1-cyclohexyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-cyclohexyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Names & synonyms
182923-62-25-Amino-1-cyclohexyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrileSCHEMBL8889916DTXSID00737602FZSAPWUKAPTRRK-UHFFFAOYSA-N
Database identifiers
- CAS
182923-62-2- PubChem CID
- 67717841
- DTXSID
DTXSID00737602
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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