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

C16H19Cl2N3O — CID 58514055

IUPAC4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine
SMILESClc1ccc(-n2ccc(CCCN3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O/c17-13-3-4-16(15(18)12-13)21-7-5-14(19-21)2-1-6-20-8-10-22-11-9-20/h3-5,7,12H,1-2,6,8-11H2
InChIKeyXWYYIGYMFVWHDE-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.44
Rot. Bonds5

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

4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine (PubChem CID 58514055) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine
PubChem CID58514055
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine
SMILESClc1ccc(-n2ccc(CCCN3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O/c17-13-3-4-16(15(18)12-13)21-7-5-14(19-21)2-1-6-20-8-10-22-11-9-20/h3-5,7,12H,1-2,6,8-11H2
InChIKeyXWYYIGYMFVWHDE-UHFFFAOYSA-N
XLogP3.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine (CID 58514055) is 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine is Clc1ccc(-n2ccc(CCCN3CCOCC3)n2)c(Cl)c1.
What is the InChIKey of 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine?
The InChIKey is XWYYIGYMFVWHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c17-13-3-4-16(15(18)12-13)21-7-5-14(19-21)2-1-6-20-8-10-22-11-9-20/h3-5,7,12H,1-2,6,8-11H2.
What are the key properties of 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine?
4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine has a molecular weight of 340.25 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine is sourced from PubChem (CID 58514055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).