1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol

C13H14F2N2O2 — CID 115780318

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C13H14F2N2O2/c1-17-8-9(7-16-17)5-12(18)10-3-2-4-11(6-10)19-13(14)15/h2-4,6-8,12-13,18H,5H2,1H3
InChIKeyAIDOMTIXNCCIIY-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.30
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol

1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115780318) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID115780318
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C13H14F2N2O2/c1-17-8-9(7-16-17)5-12(18)10-3-2-4-11(6-10)19-13(14)15/h2-4,6-8,12-13,18H,5H2,1H3
InChIKeyAIDOMTIXNCCIIY-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
CID 66460527
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822923
[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291323
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
N-[[3-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497241
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol (CID 115780318) is 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(CC(O)c2cccc(OC(F)F)c2)cn1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is AIDOMTIXNCCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-17-8-9(7-16-17)5-12(18)10-3-2-4-11(6-10)19-13(14)15/h2-4,6-8,12-13,18H,5H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol?
1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 268.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115780318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).