1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol

C13H15F2N3O — CID 61462656

IUPAC1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
SMILESOC(CNCCn1cccn1)c1c(F)cccc1F
InChIInChI=1S/C13H15F2N3O/c14-10-3-1-4-11(15)13(10)12(19)9-16-6-8-18-7-2-5-17-18/h1-5,7,12,16,19H,6,8-9H2
InChIKeyURWAASGIOWCMQO-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.48
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol

1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol (PubChem CID 61462656) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
PubChem CID61462656
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
SMILESOC(CNCCn1cccn1)c1c(F)cccc1F
InChIInChI=1S/C13H15F2N3O/c14-10-3-1-4-11(15)13(10)12(19)9-16-6-8-18-7-2-5-17-18/h1-5,7,12,16,19H,6,8-9H2
InChIKeyURWAASGIOWCMQO-UHFFFAOYSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.48
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

1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56780909
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol
CID 106104708
1-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea
CID 86800373
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
1-cyclopropyl-2-(2-pyrazol-1-ylethylamino)ethanol
CID 63299027
1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 115579730
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol (CID 61462656) is 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol is OC(CNCCn1cccn1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The InChIKey is URWAASGIOWCMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c14-10-3-1-4-11(15)13(10)12(19)9-16-6-8-18-7-2-5-17-18/h1-5,7,12,16,19H,6,8-9H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol has a molecular weight of 267.28 g/mol, XLogP of 1.48, 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-pyrazol-1-ylethylamino)ethanol is sourced from PubChem (CID 61462656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).