3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole

C10H8ClN3O2S — CID 144783405

IUPAC3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole
SMILESO=Nc1cccc(Cl)c1COc1ccn(S)n1
InChIInChI=1S/C10H8ClN3O2S/c11-8-2-1-3-9(13-15)7(8)6-16-10-4-5-14(17)12-10/h1-5,17H,6H2
InChIKeyWRBUJHGKPQSHFD-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.21
Rot. Bonds4

About 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole

3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole (PubChem CID 144783405) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole.

Molecular Properties

Compound Name3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole
PubChem CID144783405
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole
SMILESO=Nc1cccc(Cl)c1COc1ccn(S)n1
InChIInChI=1S/C10H8ClN3O2S/c11-8-2-1-3-9(13-15)7(8)6-16-10-4-5-14(17)12-10/h1-5,17H,6H2
InChIKeyWRBUJHGKPQSHFD-UHFFFAOYSA-N
XLogP3.21
TPSA56.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-6-ethynylphenyl)methoxy]-1-sulfanylpyrazole
CID 155217958
3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole
CID 155217935
3-[(2-chloro-6-prop-1-ynylphenyl)methoxy]-1-sulfanylpyrazole
CID 155217875
3-ethylsulfanyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217968
1-chloro-2-(chloromethyl)-3-nitrosobenzene
CID 169152038
3-ethynyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoyl bromide
CID 155217828
3-(difluoromethyl)-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217944
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
N-chloro-3-ethyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzamide
CID 155217832
3-[(2-ethyl-6-prop-1-ynylphenyl)methoxy]-1-sulfanylpyrazole
CID 155217881
3-[(2-ethyl-6-propan-2-yloxyphenyl)methoxy]-1-sulfanylpyrazole
CID 155217964
3-[[2-bromo-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
CID 158886137

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole?
The IUPAC name of 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole (CID 144783405) is 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole.
What is the SMILES notation for 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole?
The canonical SMILES for 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole is O=Nc1cccc(Cl)c1COc1ccn(S)n1.
What is the InChIKey of 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole?
The InChIKey is WRBUJHGKPQSHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-8-2-1-3-9(13-15)7(8)6-16-10-4-5-14(17)12-10/h1-5,17H,6H2.
What are the key properties of 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole?
3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole has a molecular weight of 269.71 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole is sourced from PubChem (CID 144783405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).