4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine

C17H21Cl2N3O2 — CID 54673475

IUPAC4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
SMILESCc1cc(COCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2N3O2/c1-13-10-14(12-24-9-6-21-4-7-23-8-5-21)20-22(13)15-2-3-16(18)17(19)11-15/h2-3,10-11H,4-9,12H2,1H3
InChIKeyBHUHWTHYCJMUAM-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.34
Rot. Bonds6

About 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine

4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine (PubChem CID 54673475) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
PubChem CID54673475
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
SMILESCc1cc(COCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2N3O2/c1-13-10-14(12-24-9-6-21-4-7-23-8-5-21)20-22(13)15-2-3-16(18)17(19)11-15/h2-3,10-11H,4-9,12H2,1H3
InChIKeyBHUHWTHYCJMUAM-UHFFFAOYSA-N
XLogP3.34
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]ethoxy]ethyl]morpholine
CID 54673778
1-[4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone
CID 54673482
1-[4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone
CID 54673647
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
CID 24739749
2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one
CID 148898891
ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 123557999
1-[4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperazin-1-yl]ethanone
CID 24743842
1-(3,4-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazol-3-amine;1-(3,4-dichlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)pyrazol-3-amine;N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-morpholin-4-ylacetamide
CID 87708538
4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
CID 67204666
1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine
CID 11595561

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine (CID 54673475) is 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine is Cc1cc(COCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine?
The InChIKey is BHUHWTHYCJMUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-13-10-14(12-24-9-6-21-4-7-23-8-5-21)20-22(13)15-2-3-16(18)17(19)11-15/h2-3,10-11H,4-9,12H2,1H3.
What are the key properties of 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine?
4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine has a molecular weight of 370.28 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine is sourced from PubChem (CID 54673475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).