Basic information
- Standard SMILES
CCCn1cc(I)cn1- InChIKey
POEZGGAVBDAFFG-UHFFFAOYSA-N- Molecular formula
- C6H9IN2
- Average molar mass
- 236.05 g/mol
Names & identifiers
- Preferred name
- 4-iodo-1-propyl-1H-pyrazole
- IUPAC
- 4-iodo-1-propylpyrazole
Names & synonyms
4-iodo-1-propyl-1H-pyrazole1342492-73-21-propyl-4-iodopyraZole4-iodo-1-propylpyrazoleMFCD203275424-iodo-1-propyl-pyrazoleSCHEMBL671590SCHEMBL17023406POEZGGAVBDAFFG-UHFFFAOYSA-NSDC49273SBB073997AKOS013752178
Show more names
DB-138560CS-0241409EN300-232746F8886-7541
Database identifiers
- PubChem CID
- 60136632
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Related reactions
3 records
Compound notes
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