4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine

C18H24ClN3O2 — CID 11544812

IUPAC4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine
SMILESCn1cc(C(OCCCN2CCOCC2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H24ClN3O2/c1-21-14-16(13-20-21)18(15-3-5-17(19)6-4-15)24-10-2-7-22-8-11-23-12-9-22/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyONYRERLKKRHYQM-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.90
Rot. Bonds7

About 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine

4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine (PubChem CID 11544812) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine
PubChem CID11544812
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine
SMILESCn1cc(C(OCCCN2CCOCC2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H24ClN3O2/c1-21-14-16(13-20-21)18(15-3-5-17(19)6-4-15)24-10-2-7-22-8-11-23-12-9-22/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyONYRERLKKRHYQM-UHFFFAOYSA-N
XLogP2.90
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.90
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-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine?
The IUPAC name of 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine (CID 11544812) is 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine is Cn1cc(C(OCCCN2CCOCC2)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine?
The InChIKey is ONYRERLKKRHYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-21-14-16(13-20-21)18(15-3-5-17(19)6-4-15)24-10-2-7-22-8-11-23-12-9-22/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine?
4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine has a molecular weight of 349.86 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]propyl]morpholine is sourced from PubChem (CID 11544812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).