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

C16H19F2N3O2 — CID 54673650

IUPAC4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
SMILESFc1ccc(-n2ccc(COCCN3CCOCC3)n2)cc1F
InChIInChI=1S/C16H19F2N3O2/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
InChIKeyPGYPSVVQKWQJHL-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.00
Rot. Bonds6

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

4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine (PubChem CID 54673650) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
PubChem CID54673650
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
SMILESFc1ccc(-n2ccc(COCCN3CCOCC3)n2)cc1F
InChIInChI=1S/C16H19F2N3O2/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
InChIKeyPGYPSVVQKWQJHL-UHFFFAOYSA-N
XLogP2.00
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.00
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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Related Compounds

4-[2-[[1-(3,4-Dichlorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
CID 54673619
1-[4-[2-[[1-(3,4-Difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone
CID 54673647
EST64454 (hydrochloride)
CID 121418768
Est64454
CID 54673648
[1-(3-fluorophenyl)-1H-pyrazol-3-yl]methanol
CID 47093611
2-[({1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}oxy)methyl]pyridine
CID 56901556
[1-(2,6-difluorophenyl)-1H-pyrazol-3-yl]methanol
CID 65813873
1-{2-[4-(5-Trifluoromethyl-pyrazol-1-yl)-phenoxy]-ethyl}-piperidine
CID 24769550
[1-(4-Fluorophenyl)-1h-pyrazol-3-yl]methanol
CID 44819038
1-[4-[3-[[1-(3,4-Difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone
CID 54673645
1-[4-[3-[[1-(3,4-Difluorophenyl)-5-methylpyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone
CID 54673646
4-[2-[[1-(3,4-Difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
CID 54673649

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine (CID 54673650) is 4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine is Fc1ccc(-n2ccc(COCCN3CCOCC3)n2)cc1F.
What is the InChIKey of 4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The InChIKey is PGYPSVVQKWQJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/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-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine has a molecular weight of 323.34 g/mol, XLogP of 2.00, 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)pyrazol-3-yl]methoxy]ethyl]morpholine is sourced from PubChem (CID 54673650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).