4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine

C17H21F2N3O2 — CID 54673649

IUPAC4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
SMILESCc1cc(COCCN2CCOCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H21F2N3O2/c1-13-10-14(12-24-9-6-21-4-7-23-8-5-21)20-22(13)15-2-3-16(18)17(19)11-15/h2-3,10-11H,4-9,12H2,1H3
InChIKeyHDHYJPOSKROBSY-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.31
Rot. Bonds6

About 4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine

4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine (PubChem CID 54673649) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
PubChem CID54673649
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
SMILESCc1cc(COCCN2CCOCC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H21F2N3O2/c1-13-10-14(12-24-9-6-21-4-7-23-8-5-21)20-22(13)15-2-3-16(18)17(19)11-15/h2-3,10-11H,4-9,12H2,1H3
InChIKeyHDHYJPOSKROBSY-UHFFFAOYSA-N
XLogP2.31
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.31
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-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine (CID 54673649) is 4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine is Cc1cc(COCCN2CCOCC2)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine?
The InChIKey is HDHYJPOSKROBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-13-10-14(12-24-9-6-21-4-7-23-8-5-21)20-22(13)15-2-3-16(18)17(19)11-15/h2-3,10-11H,4-9,12H2,1H3.
What are the key properties of 4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine?
4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine has a molecular weight of 337.37 g/mol, XLogP of 2.31, 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-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine is sourced from PubChem (CID 54673649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).