Basic information
- CAS
15083-38-2- Standard SMILES
Cc1cc(OCCCCl)n(-c2ccccc2)n1- InChIKey
ZFDZSSZJHZEVHF-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O
- Average molar mass
- 250.72 g/mol
- Monoisotopic mass
- 250.0872908
Names & identifiers
- Preferred name
- Pyrazole, 5-(3-chloropropoxy)-3-methyl-1-phenyl-
- IUPAC
- 5-(3-chloropropoxy)-3-methyl-1-phenylpyrazole
- English name
- 5-(3-Chloropropoxy)-3-methyl-1-phenyl-1H-pyrazole
- Molecular formula
- C13H15ClN2O
- Molecular weight
- 250.72
Names & synonyms
15083-38-2Pyrazole, 5-(3-chloropropoxy)-3-methyl-1-phenyl-DTXSID90164620RefChem:1097234DTXCID40871115-(3-Chloropropoxy)-3-methyl-1-phenylpyrazole5-(3-chloropropoxy)-3-methyl-1-phenyl-1H-pyrazoleP-328BRN 07949991H-Pyrazole, 5-(3-chloropropoxy)-3-methyl-1-phenyl-
Database identifiers
- CAS
15083-38-2- PubChem CID
- 203733
- DTXSID
DTXSID90164620- Nikkaji
- J51.211G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…