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

C10H8ClFN2OS — CID 155217935

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole
SMILESFc1cccc(Cl)c1COc1ccn(S)n1
InChIInChI=1S/C10H8ClFN2OS/c11-8-2-1-3-9(12)7(8)6-15-10-4-5-14(16)13-10/h1-5,16H,6H2
InChIKeyPQWUJAZREPMBON-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.95
Rot. Bonds3

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

3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole (PubChem CID 155217935) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole
PubChem CID155217935
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole
SMILESFc1cccc(Cl)c1COc1ccn(S)n1
InChIInChI=1S/C10H8ClFN2OS/c11-8-2-1-3-9(12)7(8)6-15-10-4-5-14(16)13-10/h1-5,16H,6H2
InChIKeyPQWUJAZREPMBON-UHFFFAOYSA-N
XLogP2.95
TPSA27.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitrosophenyl)methoxy]-1-sulfanylpyrazole
CID 144783405
3-[(2-chloro-6-prop-1-ynylphenyl)methoxy]-1-sulfanylpyrazole
CID 155217875
3-[(2-chloro-6-fluorophenyl)methoxy]pyridazine
CID 134102120
3-(difluoromethyl)-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217944
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylpyrazine
CID 178142394
3-ethynyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoyl bromide
CID 155217828
2-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]pyrazine
CID 178142066
3-[(2-ethyl-6-propan-2-yloxyphenyl)methoxy]-1-sulfanylpyrazole
CID 155217964
3-[(2-ethyl-6-prop-1-ynylphenyl)methoxy]-1-sulfanylpyrazole
CID 155217881

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole (CID 155217935) is 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole is Fc1cccc(Cl)c1COc1ccn(S)n1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole?
The InChIKey is PQWUJAZREPMBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-8-2-1-3-9(12)7(8)6-15-10-4-5-14(16)13-10/h1-5,16H,6H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole?
3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole has a molecular weight of 258.70 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-sulfanylpyrazole is sourced from PubChem (CID 155217935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).