3-(4-Iodo-3-methyl-1H-pyrazol-1-yl)propanenitrile
Basic information
- CAS
1006508-22-0- Standard SMILES
Cc1nn(CCC#N)cc1I- InChIKey
TZFDTWLACHQDFV-UHFFFAOYSA-N- Molecular formula
- C7H8IN3
- Average molar mass
- 261.06 g/mol
- Monoisotopic mass
- 260.97629
Names & identifiers
- Preferred name
- 3-(4-Iodo-3-methyl-1H-pyrazol-1-yl)propanenitrile
- IUPAC
- 3-(4-iodo-3-methylpyrazol-1-yl)propanenitrile
Names & synonyms
3-(4-Iodo-3-methyl-1H-pyrazol-1-yl)propanenitrile1006508-22-03-(4-iodo-3-methylpyrazolyl)propanenitrile3-(4-iodo-3-methylpyrazol-1-yl)propanenitrileSCHEMBL21761948DTXSID201257826MFCD03167202SBB074033AKOS0159208894-Iodo-3-methyl-1H-pyrazole-1-propanenitrile
Database identifiers
- CAS
1006508-22-0- PubChem CID
- 60136660
- DTXSID
DTXSID201257826
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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