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

C12H13F2N3O — CID 79778670

IUPAC1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
SMILESCn1ccc(NCC(O)c2c(F)cccc2F)n1
InChIInChI=1S/C12H13F2N3O/c1-17-6-5-11(16-17)15-7-10(18)12-8(13)3-2-4-9(12)14/h2-6,10,18H,7H2,1H3,(H,15,16)
InChIKeyLEYRYHMKQBFVJC-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.84
Rot. Bonds4

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

1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol (PubChem CID 79778670) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
PubChem CID79778670
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
SMILESCn1ccc(NCC(O)c2c(F)cccc2F)n1
InChIInChI=1S/C12H13F2N3O/c1-17-6-5-11(16-17)15-7-10(18)12-8(13)3-2-4-9(12)14/h2-6,10,18H,7H2,1H3,(H,15,16)
InChIKeyLEYRYHMKQBFVJC-UHFFFAOYSA-N
XLogP1.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol (CID 79778670) is 1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol is Cn1ccc(NCC(O)c2c(F)cccc2F)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The InChIKey is LEYRYHMKQBFVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-17-6-5-11(16-17)15-7-10(18)12-8(13)3-2-4-9(12)14/h2-6,10,18H,7H2,1H3,(H,15,16).
What are the key properties of 1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol has a molecular weight of 253.25 g/mol, XLogP of 1.84, 4 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-[(1-methylpyrazol-3-yl)amino]ethanol is sourced from PubChem (CID 79778670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).