Basic information
- CAS
23786-20-1- Standard SMILES
O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N1CCN(CCO)CC1- InChIKey
WXKJQQTYGXGVQD-UHFFFAOYSA-N- Molecular formula
- C21H25ClN4O3S
- Average molar mass
- 449 g/mol
- Monoisotopic mass
- 448.1335895
Names & identifiers
- Preferred name
- 4-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)piperazine-1-ethanol
- IUPAC
- 2-[4-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpiperazin-1-yl]ethanol
- English name
- 4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]piperazine-1-ethanol
- Molecular formula
- C21H25ClN4O3S
- Molecular weight
- 448.97
Names & synonyms
23786-20-1EINECS 245-887-7561K78Z2BN1-Piperazineethanol, 4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-DTXSID20669311-Piperazineethanol, 4-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-4-((4-(3-(4-Chlorophenyl)-4, 5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-1-piperazineethanol4-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)piperazine-1-ethanolRefChem:509279DTXCID40369344-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)piperazine-1-ethanol4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]piperazine-1-ethanol
Show more names
4-[p-[3-(p-Chlorophenyl)-2-pyrazolin-1-yl]phenylsulfonyl]piperazine-1-ethanol
UNII-561K78Z2BNSCHEMBL30887098WXKJQQTYGXGVQD-UHFFFAOYSA-NNS000274842-(4-{4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonyl}piperazin-1-yl)ethan-1-ol
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 690
Physicochemical properties
- FDA UNII
- 561 K78Z2BN · 561K78Z2BN
- EPA Substance Registry System
- 1 · 1-Piperazineethanol, 4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]- (23786-20-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Piperazineethanol, 4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperazineethanol, 4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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