1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol

C15H19FN2O2 — CID 107719825

IUPAC1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
SMILESCCc1cc(COc2ccc(C(C)O)c(F)c2)n(C)n1
InChIInChI=1S/C15H19FN2O2/c1-4-11-7-12(18(3)17-11)9-20-13-5-6-14(10(2)19)15(16)8-13/h5-8,10,19H,4,9H2,1-3H3
InChIKeyWKJNISZGLRBJKK-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.75
Rot. Bonds5

About 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol

1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol (PubChem CID 107719825) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
PubChem CID107719825
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
SMILESCCc1cc(COc2ccc(C(C)O)c(F)c2)n(C)n1
InChIInChI=1S/C15H19FN2O2/c1-4-11-7-12(18(3)17-11)9-20-13-5-6-14(10(2)19)15(16)8-13/h5-8,10,19H,4,9H2,1-3H3
InChIKeyWKJNISZGLRBJKK-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromo-4-fluorophenoxy)methyl]-3-ethyl-1-methylpyrazole
CID 83233382
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948377
(1R)-1-[2-fluoro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 107720241
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1S)-1-[4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-fluorophenyl]ethanol
CID 107720517
(1S)-1-[2-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107720712
(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 107720562
(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
CID 107720247
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol (CID 107719825) is 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol is CCc1cc(COc2ccc(C(C)O)c(F)c2)n(C)n1.
What is the InChIKey of 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol?
The InChIKey is WKJNISZGLRBJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-11-7-12(18(3)17-11)9-20-13-5-6-14(10(2)19)15(16)8-13/h5-8,10,19H,4,9H2,1-3H3.
What are the key properties of 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol?
1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol has a molecular weight of 278.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).