1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol

C14H17F2N3O — CID 106104708

IUPAC1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol
SMILESCn1ccc(CCNCC(O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H17F2N3O/c1-19-8-6-10(18-19)5-7-17-9-13(20)14-11(15)3-2-4-12(14)16/h2-4,6,8,13,17,20H,5,7,9H2,1H3
InChIKeyBGIWESUAZBBQMM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.56
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol

1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol (PubChem CID 106104708) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol
PubChem CID106104708
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol
SMILESCn1ccc(CCNCC(O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H17F2N3O/c1-19-8-6-10(18-19)5-7-17-9-13(20)14-11(15)3-2-4-12(14)16/h2-4,6,8,13,17,20H,5,7,9H2,1H3
InChIKeyBGIWESUAZBBQMM-UHFFFAOYSA-N
XLogP1.56
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-methylpyrazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
CID 106104586
(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702
1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 61462656
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206
N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide
CID 106104820
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
ethyl 3-hydroxy-4-[2-(1-methylpyrazol-3-yl)ethylamino]butanoate
CID 114144039
N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025688
2-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 104626482
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol (CID 106104708) is 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol is Cn1ccc(CCNCC(O)c2c(F)cccc2F)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol?
The InChIKey is BGIWESUAZBBQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-19-8-6-10(18-19)5-7-17-9-13(20)14-11(15)3-2-4-12(14)16/h2-4,6,8,13,17,20H,5,7,9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol?
1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol has a molecular weight of 281.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 106104708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).