4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine

C21H21Cl2N3O2 — CID 18693316

IUPAC4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
SMILESClc1cccc(-c2ccc(-n3nccc3OCCN3CCOCC3)cc2)c1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-19-3-1-2-18(21(19)23)16-4-6-17(7-5-16)26-20(8-9-24-26)28-15-12-25-10-13-27-14-11-25/h1-9H,10-15H2
InChIKeyVEPHUXURWVTAFP-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.56
Rot. Bonds6

About 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine

4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine (PubChem CID 18693316) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
PubChem CID18693316
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
SMILESClc1cccc(-c2ccc(-n3nccc3OCCN3CCOCC3)cc2)c1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-19-3-1-2-18(21(19)23)16-4-6-17(7-5-16)26-20(8-9-24-26)28-15-12-25-10-13-27-14-11-25/h1-9H,10-15H2
InChIKeyVEPHUXURWVTAFP-UHFFFAOYSA-N
XLogP4.56
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
4-[2-[2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenoxy]ethyl]morpholine
CID 23019978
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885
4-[[(2S)-2-[[4-(2,3-dichlorophenyl)phenoxy]methyl]-2,5-dihydro-1,3-oxazol-5-yl]methyl]morpholine
CID 123686936
4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
CID 3047072
[5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methanol
CID 18693277
4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
CID 58930607
2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium
CID 167336754
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
ethyl 5-(2-morpholin-4-ylethoxy)-1-[4-(2-nitrophenyl)phenyl]pyrazole-4-carboxylate
CID 18693281
ethyl 1-[4-[2-(2-methylpropyl)phenyl]phenyl]-5-(2-morpholin-4-ylethoxy)pyrazole-4-carboxylate
CID 18693307

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine (CID 18693316) is 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine is Clc1cccc(-c2ccc(-n3nccc3OCCN3CCOCC3)cc2)c1Cl.
What is the InChIKey of 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine?
The InChIKey is VEPHUXURWVTAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c22-19-3-1-2-18(21(19)23)16-4-6-17(7-5-16)26-20(8-9-24-26)28-15-12-25-10-13-27-14-11-25/h1-9H,10-15H2.
What are the key properties of 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine?
4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine has a molecular weight of 418.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 18693316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).