Basic information
- Standard SMILES
Cc1cc(C)n(CCl)n1- InChIKey
KXQPDCOGUVWUPI-UHFFFAOYSA-N- Molecular formula
- C6H9ClN2
- Average molar mass
- 144.6 g/mol
- Monoisotopic mass
- 144.045426
Names & identifiers
- Preferred name
- 1-(chloromethyl)-3,5-dimethyl-1H-pyrazole
- IUPAC
- 1-(chloromethyl)-3,5-dimethylpyrazole
Names & synonyms
1-(chloromethyl)-3,5-dimethyl-1H-pyrazole137198-40-41-chloromethyl-3,5-dimethyl-1H-pyrazoleSCHEMBL10277762AKOS000307123DB-301385EN300-624196
Database identifiers
- PubChem CID
- 3756848
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97
Related reactions
2 records
Compound notes
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