1-(4-Chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
Basic information
- CAS
13948-89-5- Standard SMILES
Cc1cc(C)n(CC(O)COc2ccc(Cl)cc2)n1- InChIKey
MEYUMIPEDPRSSE-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O2
- Average molar mass
- 280.75 g/mol
- Monoisotopic mass
- 280.0978555
Names & identifiers
- Preferred name
- 1-(4-Chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
- IUPAC
- 1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
Names & synonyms
1-(4-chlorophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol13948-89-51-(4-chlorophenoxy)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-olOprea1_335167Oprea1_599442MLS001208409CHEMBL1588109DTXSID501321692HMS2845E201-(4-Chloro-phenoxy)-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-olSTL336763AKOS000567464
Show more names
AKOS022126783SMR000517001ST0630831-(3,5-dimethylpyrazolyl)-3-(4-chlorophenoxy)propan-2-ol
Database identifiers
- CAS
13948-89-5- PubChem CID
- 2876017
- DTXSID
DTXSID501321692- ChEMBL
CHEMBL1588109
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility37.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…