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

C16H19F2N3O2 — CID 150930159

IUPAC2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
SMILESFc1ccc(-n2ccc(COCCC3CNCCO3)n2)cc1F
InChIInChI=1S/C16H19F2N3O2/c17-15-2-1-13(9-16(15)18)21-6-3-12(20-21)11-22-7-4-14-10-19-5-8-23-14/h1-3,6,9,14,19H,4-5,7-8,10-11H2
InChIKeyLFVZSTHUHQOROB-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.05
Rot. Bonds6

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

2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine (PubChem CID 150930159) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine.

Molecular Properties

Compound Name2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
PubChem CID150930159
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
SMILESFc1ccc(-n2ccc(COCCC3CNCCO3)n2)cc1F
InChIInChI=1S/C16H19F2N3O2/c17-15-2-1-13(9-16(15)18)21-6-3-12(20-21)11-22-7-4-14-10-19-5-8-23-14/h1-3,6,9,14,19H,4-5,7-8,10-11H2
InChIKeyLFVZSTHUHQOROB-UHFFFAOYSA-N
XLogP2.05
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole
CID 114796055
2-[(1-cyclopentylpyrazol-3-yl)methoxymethyl]morpholine
CID 114468422
1-[4-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone;ethane
CID 142375217
2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine
CID 25120226
2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine
CID 114468426
1-[4-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxymethyl]piperazin-1-yl]ethanone;propanedioic acid
CID 126649692
(E)-but-2-enedioic acid;1-[4-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxymethyl]piperazin-1-yl]ethanone
CID 126649656
2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid
CID 116818186
1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
CID 116941595
2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine
CID 112741743
4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 66429418

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The IUPAC name of 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine (CID 150930159) is 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine.
What is the SMILES notation for 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The canonical SMILES for 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine is Fc1ccc(-n2ccc(COCCC3CNCCO3)n2)cc1F.
What is the InChIKey of 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
The InChIKey is LFVZSTHUHQOROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-15-2-1-13(9-16(15)18)21-6-3-12(20-21)11-22-7-4-14-10-19-5-8-23-14/h1-3,6,9,14,19H,4-5,7-8,10-11H2.
What are the key properties of 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine?
2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine has a molecular weight of 323.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine is sourced from PubChem (CID 150930159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).