5-Iodo-1-isopropyl-1H-pyrazole-4-carbonitrile
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Basic information
- Standard SMILES
CC(C)n1ncc(C#N)c1I- InChIKey
UIIWPVJVXSAYFC-UHFFFAOYSA-N- Molecular formula
- C7H8IN3
- Average molar mass
- 261.06 g/mol
- Monoisotopic mass
- 260.97629
Names & identifiers
- Preferred name
- 5-Iodo-1-isopropyl-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-iodo-1-propan-2-ylpyrazole-4-carbonitrile
Names & synonyms
5-IODO-1-ISOPROPYL-1H-PYRAZOLE-4-CARBONITRILE1282516-28-2SCHEMBL12689106UIIWPVJVXSAYFC-UHFFFAOYSA-NDB-398602A1-28902
Database identifiers
- PubChem CID
- 58204841
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
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Related reactions
7 records
Compound notes
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