4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine

C17H21Cl2N3O3 — CID 24739749

IUPAC4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
SMILESClc1ccc(-n2ccc(OCCOCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H21Cl2N3O3/c18-15-2-1-14(13-16(15)19)22-4-3-17(20-22)25-12-11-24-10-7-21-5-8-23-9-6-21/h1-4,13H,5-12H2
InChIKeyPUBTUBYIGOZPBV-UHFFFAOYSA-N
MW386.28 g/mol
LogP2.91
Rot. Bonds8

About 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine

4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine (PubChem CID 24739749) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
PubChem CID24739749
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC Name4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
SMILESClc1ccc(-n2ccc(OCCOCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H21Cl2N3O3/c18-15-2-1-14(13-16(15)19)22-4-3-17(20-22)25-12-11-24-10-7-21-5-8-23-9-6-21/h1-4,13H,5-12H2
InChIKeyPUBTUBYIGOZPBV-UHFFFAOYSA-N
XLogP2.91
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
CID 67204666
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
1-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-3-morpholin-4-ylpropan-2-ol;oxalic acid
CID 66781388
2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one
CID 148898891
4-[2-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]ethoxy]ethyl]morpholine
CID 54673778
1-[1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidin-4-yl]ethanone;oxalic acid
CID 24743740
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
CID 54673475
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
4-[2-(2-chloro-5-iodophenoxy)ethyl]morpholine
CID 122524434
1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine
CID 162119357

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine (CID 24739749) is 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine is Clc1ccc(-n2ccc(OCCOCCN3CCOCC3)n2)cc1Cl.
What is the InChIKey of 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine?
The InChIKey is PUBTUBYIGOZPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c18-15-2-1-14(13-16(15)19)22-4-3-17(20-22)25-12-11-24-10-7-21-5-8-23-9-6-21/h1-4,13H,5-12H2.
What are the key properties of 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine?
4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine has a molecular weight of 386.28 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine is sourced from PubChem (CID 24739749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).