4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride

C17H22Cl3N3O2 — CID 67204666

IUPAC4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
SMILESCl.Clc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H21Cl2N3O2.ClH/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)24-10-2-1-6-21-8-11-23-12-9-21;/h3-5,7,13H,1-2,6,8-12H2;1H
InChIKeyMEXVXHCRKVEZGI-UHFFFAOYSA-N
MW406.74 g/mol
LogP4.09
Rot. Bonds7

About 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride

4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride (PubChem CID 67204666) has the molecular formula C17H22Cl3N3O2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
PubChem CID67204666
Molecular FormulaC17H22Cl3N3O2
Molecular Weight406.74 g/mol
Exact Mass405.08
IUPAC Name4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
SMILESCl.Clc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H21Cl2N3O2.ClH/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)24-10-2-1-6-21-8-11-23-12-9-21;/h3-5,7,13H,1-2,6,8-12H2;1H
InChIKeyMEXVXHCRKVEZGI-UHFFFAOYSA-N
XLogP4.09
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 54.09
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)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
CID 24739749
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one
CID 148898891
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
1-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-3-morpholin-4-ylpropan-2-ol;oxalic acid
CID 66781388
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-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]ethoxy]ethyl]morpholine
CID 54673778
1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine
CID 162119357
4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
CID 54673475
1-[4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperazin-1-yl]ethanone
CID 24743842
1-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;2-oxopropanoic acid
CID 91562464

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride?
The IUPAC name of 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride (CID 67204666) is 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride is Cl.Clc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl.
What is the InChIKey of 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride?
The InChIKey is MEXVXHCRKVEZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2.ClH/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)24-10-2-1-6-21-8-11-23-12-9-21;/h3-5,7,13H,1-2,6,8-12H2;1H.
What are the key properties of 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride?
4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride has a molecular weight of 406.74 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride is sourced from PubChem (CID 67204666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).