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

C16H19Cl2N3O2 — CID 54673619

IUPAC4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
SMILESClc1ccc(-n2ccc(COCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c17-15-2-1-14(11-16(15)18)21-4-3-13(19-21)12-23-10-7-20-5-8-22-9-6-20/h1-4,11H,5-10,12H2
InChIKeyBDDSCRYULWTHRK-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.03
Rot. Bonds6

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

4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine (PubChem CID 54673619) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
PubChem CID54673619
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
SMILESClc1ccc(-n2ccc(COCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c17-15-2-1-14(11-16(15)18)21-4-3-13(19-21)12-23-10-7-20-5-8-22-9-6-20/h1-4,11H,5-10,12H2
InChIKeyBDDSCRYULWTHRK-UHFFFAOYSA-N
XLogP3.03
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine (CID 54673619) is 4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine is Clc1ccc(-n2ccc(COCCN3CCOCC3)n2)cc1Cl.
What is the InChIKey of 4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The InChIKey is BDDSCRYULWTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-15-2-1-14(11-16(15)18)21-4-3-13(19-21)12-23-10-7-20-5-8-22-9-6-20/h1-4,11H,5-10,12H2.
What are the key properties of 4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
4-[2-[[1-(3,4-dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine has a molecular weight of 356.25 g/mol, XLogP of 3.03, 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)pyrazol-3-yl]methoxy]ethyl]morpholine is sourced from PubChem (CID 54673619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).