1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone

C13H13FN2O2 — CID 113232754

IUPAC1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cnn(C)c2)cc1F
InChIInChI=1S/C13H13FN2O2/c1-9(17)12-4-3-11(5-13(12)14)18-8-10-6-15-16(2)7-10/h3-7H,8H2,1-2H3
InChIKeyKYAQHIHAUWAORY-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone

1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 113232754) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone
PubChem CID113232754
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cnn(C)c2)cc1F
InChIInChI=1S/C13H13FN2O2/c1-9(17)12-4-3-11(5-13(12)14)18-8-10-6-15-16(2)7-10/h3-7H,8H2,1-2H3
InChIKeyKYAQHIHAUWAORY-UHFFFAOYSA-N
XLogP2.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
5-[(4-acetyl-3-fluorophenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107714417
trifluoro-[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 83140922
4-[(4-acetyl-3-fluorophenoxy)methyl]benzonitrile
CID 91863386
2-chloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 102724273
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 55234584
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone (CID 113232754) is 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cnn(C)c2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is KYAQHIHAUWAORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9(17)12-4-3-11(5-13(12)14)18-8-10-6-15-16(2)7-10/h3-7H,8H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone?
1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 248.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 113232754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).