1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone

C14H14ClFN2O2 — CID 115619394

IUPAC1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H14ClFN2O2/c1-8-12(14(15)18(3)17-8)7-20-13-6-10(16)4-5-11(13)9(2)19/h4-6H,7H2,1-3H3
InChIKeyLOQYQZSQTMFDTK-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.30
Rot. Bonds4

About 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone

1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone (PubChem CID 115619394) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone
PubChem CID115619394
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCc1c(C)nn(C)c1Cl
InChIInChI=1S/C14H14ClFN2O2/c1-8-12(14(15)18(3)17-8)7-20-13-6-10(16)4-5-11(13)9(2)19/h4-6H,7H2,1-3H3
InChIKeyLOQYQZSQTMFDTK-UHFFFAOYSA-N
XLogP3.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 113223262
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
CID 115634537
5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
CID 54920811
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
5-chloro-4-[[2-(chloromethyl)phenoxy]methyl]-1,3-dimethylpyrazole
CID 113470016
3-chloro-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]benzaldehyde
CID 115619393
1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone
CID 65369860
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 115582249
5-chloro-1,3-dimethyl-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrazole
CID 60796615
(1R)-1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 104862104
1-[2-(2-chloroprop-2-enoxy)-4-fluorophenyl]ethanone
CID 63067319

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone (CID 115619394) is 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1OCc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone?
The InChIKey is LOQYQZSQTMFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-8-12(14(15)18(3)17-8)7-20-13-6-10(16)4-5-11(13)9(2)19/h4-6H,7H2,1-3H3.
What are the key properties of 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone?
1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone has a molecular weight of 296.73 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone is sourced from PubChem (CID 115619394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).