3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole

C12H12FN3O3S — CID 160628242

IUPAC3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
SMILESCn1ccc(OCc2c(N=S=O)cccc2OCF)n1
InChIInChI=1S/C12H12FN3O3S/c1-16-6-5-12(14-16)18-7-9-10(15-20-17)3-2-4-11(9)19-8-13/h2-6H,7-8H2,1H3
InChIKeyRHOWTHUUTNVDRZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.33
Rot. Bonds6

About 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole

3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole (PubChem CID 160628242) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
PubChem CID160628242
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
SMILESCn1ccc(OCc2c(N=S=O)cccc2OCF)n1
InChIInChI=1S/C12H12FN3O3S/c1-16-6-5-12(14-16)18-7-9-10(15-20-17)3-2-4-11(9)19-8-13/h2-6H,7-8H2,1H3
InChIKeyRHOWTHUUTNVDRZ-UHFFFAOYSA-N
XLogP2.33
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
CID 158886137
3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole
CID 126579178
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
CID 153085603
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
1-hydroxy-3-[(2-isocyanato-6-methoxyphenyl)methoxy]pyrazole
CID 155217908
propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159704171
propyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoate
CID 161300654
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole?
The IUPAC name of 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole (CID 160628242) is 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole.
What is the SMILES notation for 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole?
The canonical SMILES for 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole is Cn1ccc(OCc2c(N=S=O)cccc2OCF)n1.
What is the InChIKey of 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole?
The InChIKey is RHOWTHUUTNVDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c1-16-6-5-12(14-16)18-7-9-10(15-20-17)3-2-4-11(9)19-8-13/h2-6H,7-8H2,1H3.
What are the key properties of 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole?
3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole has a molecular weight of 297.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole is sourced from PubChem (CID 160628242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).