5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole

C10H8ClFN2OS — CID 174313540

IUPAC5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole
SMILESCOc1cc(Sc2ccn[nH]2)c(Cl)cc1F
InChIInChI=1S/C10H8ClFN2OS/c1-15-8-5-9(6(11)4-7(8)12)16-10-2-3-13-14-10/h2-5H,1H3,(H,13,14)
InChIKeyYNWOQZKKDJOPJJ-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.36
Rot. Bonds3

About 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole

5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole (PubChem CID 174313540) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole
PubChem CID174313540
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole
SMILESCOc1cc(Sc2ccn[nH]2)c(Cl)cc1F
InChIInChI=1S/C10H8ClFN2OS/c1-15-8-5-9(6(11)4-7(8)12)16-10-2-3-13-14-10/h2-5H,1H3,(H,13,14)
InChIKeyYNWOQZKKDJOPJJ-UHFFFAOYSA-N
XLogP3.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoro-3-methoxyphenyl)-1H-pyrazole
CID 70662601
5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole
CID 139624528
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600005
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
(2-chloro-4-fluoro-5-methoxyphenyl)boronic acid;ethane
CID 177217890
2-chloro-4-fluoro-5-methoxyaniline;(2-chloro-4-fluoro-5-methoxyphenyl) thiocyanate;methane
CID 165005192
5-fluoro-2-(4-fluorophenyl)sulfanyl-4-methoxyaniline
CID 63597738
(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
CID 172620902
2-(2,4-difluorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 55217046
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
1,4-dichloro-2-methoxy-5-methylsulfanylbenzene
CID 164892037

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole?
The IUPAC name of 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole (CID 174313540) is 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole?
The canonical SMILES for 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole is COc1cc(Sc2ccn[nH]2)c(Cl)cc1F.
What is the InChIKey of 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole?
The InChIKey is YNWOQZKKDJOPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c1-15-8-5-9(6(11)4-7(8)12)16-10-2-3-13-14-10/h2-5H,1H3,(H,13,14).
What are the key properties of 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole?
5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole has a molecular weight of 258.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole is sourced from PubChem (CID 174313540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).