4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine

C16H20ClN3O2 — CID 71460635

IUPAC4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O2/c1-13-11-16(22-10-7-19-5-8-21-9-6-19)18-20(13)15-4-2-3-14(17)12-15/h2-4,11-12H,5-10H2,1H3
InChIKeyNZWIQLRQJPTXJU-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.55
Rot. Bonds5

About 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine

4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine (PubChem CID 71460635) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
PubChem CID71460635
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3O2/c1-13-11-16(22-10-7-19-5-8-21-9-6-19)18-20(13)15-4-2-3-14(17)12-15/h2-4,11-12H,5-10H2,1H3
InChIKeyNZWIQLRQJPTXJU-UHFFFAOYSA-N
XLogP2.55
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine (CID 71460635) is 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine is Cc1cc(OCCN2CCOCC2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine?
The InChIKey is NZWIQLRQJPTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-13-11-16(22-10-7-19-5-8-21-9-6-19)18-20(13)15-4-2-3-14(17)12-15/h2-4,11-12H,5-10H2,1H3.
What are the key properties of 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine?
4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine has a molecular weight of 321.81 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 71460635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).