Basic information
- CAS
1402445-92-4- Standard SMILES
N#CCc1cnn(C2CC2)c1C(F)(F)F- InChIKey
PSTWQTNMDVACFM-UHFFFAOYSA-N- Molecular formula
- C9H8F3N3
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.06703175
Names & identifiers
- Preferred name
- 2-(1-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)acetonitrile
- IUPAC
- 2-[1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-yl]acetonitrile
Names & synonyms
1402445-92-42-(1-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)acetonitrile(1-Cyclopropyl-5-trifluoromethyl-1H-pyrazol-4-yl)-acetonitrileSCHEMBL12985165DTXSID6011870891-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazole-4-acetonitrile[1-Cyclopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetonitrile
Database identifiers
- CAS
1402445-92-4- PubChem CID
- 70817554
- DTXSID
DTXSID601187089
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Related reactions
4 records
Compound notes
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