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

C11H10BrN3O2S — CID 158886137

IUPAC3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
SMILESCn1ccc(OCc2c(Br)cccc2N=S=O)n1
InChIInChI=1S/C11H10BrN3O2S/c1-15-6-5-11(13-15)17-7-8-9(12)3-2-4-10(8)14-18-16/h2-6H,7H2,1H3
InChIKeyJDQPQFYAJWOPAE-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.79
Rot. Bonds4

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

3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole (PubChem CID 158886137) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
PubChem CID158886137
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
SMILESCn1ccc(OCc2c(Br)cccc2N=S=O)n1
InChIInChI=1S/C11H10BrN3O2S/c1-15-6-5-11(13-15)17-7-8-9(12)3-2-4-10(8)14-18-16/h2-6H,7H2,1H3
InChIKeyJDQPQFYAJWOPAE-UHFFFAOYSA-N
XLogP2.79
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473
3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
CID 160628242
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide
CID 159780699
3-bromo-N-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 159230943
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
CID 153085603
N-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide
CID 157459494
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 147911483
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole
CID 144783405
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695

Frequently Asked Questions

What is the IUPAC name of 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole?
The IUPAC name of 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole (CID 158886137) is 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole.
What is the SMILES notation for 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole?
The canonical SMILES for 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole is Cn1ccc(OCc2c(Br)cccc2N=S=O)n1.
What is the InChIKey of 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole?
The InChIKey is JDQPQFYAJWOPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c1-15-6-5-11(13-15)17-7-8-9(12)3-2-4-10(8)14-18-16/h2-6H,7H2,1H3.
What are the key properties of 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole?
3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole has a molecular weight of 328.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole is sourced from PubChem (CID 158886137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).