(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol

C14H17FN2O2 — CID 103003611

IUPAC(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCCc2ccnn2C)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-10(18)11-3-4-14(13(15)9-11)19-8-6-12-5-7-16-17(12)2/h3-5,7,9-10,18H,6,8H2,1-2H3/t10-/m0/s1
InChIKeyXRHLURGCQLCSRZ-JTQLQIEISA-N
MW264.30 g/mol
LogP2.23
Rot. Bonds5

About (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol

(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol (PubChem CID 103003611) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
PubChem CID103003611
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCCc2ccnn2C)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-10(18)11-3-4-14(13(15)9-11)19-8-6-12-5-7-16-17(12)2/h3-5,7,9-10,18H,6,8H2,1-2H3/t10-/m0/s1
InChIKeyXRHLURGCQLCSRZ-JTQLQIEISA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603
(E)-3-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]prop-2-enoic acid
CID 107692350
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
1-[3-chloro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylethanamine
CID 102999983
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999823
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690
(1R)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389649

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol (CID 103003611) is (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol is C[C@H](O)c1ccc(OCCc2ccnn2C)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol?
The InChIKey is XRHLURGCQLCSRZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10(18)11-3-4-14(13(15)9-11)19-8-6-12-5-7-16-17(12)2/h3-5,7,9-10,18H,6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol?
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol has a molecular weight of 264.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 103003611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).