5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole

C10H9ClN2S — CID 139624528

IUPAC5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole
SMILESCc1cccc(Cl)c1Sc1ccn[nH]1
InChIInChI=1S/C10H9ClN2S/c1-7-3-2-4-8(11)10(7)14-9-5-6-12-13-9/h2-6H,1H3,(H,12,13)
InChIKeyFCCMZQOILGLLEC-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.52
Rot. Bonds2

About 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole

5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole (PubChem CID 139624528) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole
PubChem CID139624528
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole
SMILESCc1cccc(Cl)c1Sc1ccn[nH]1
InChIInChI=1S/C10H9ClN2S/c1-7-3-2-4-8(11)10(7)14-9-5-6-12-13-9/h2-6H,1H3,(H,12,13)
InChIKeyFCCMZQOILGLLEC-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole
CID 139624533
2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine
CID 152552822
5-(2-chloro-4-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole
CID 174313540
1-chloro-3-methyl-2-methylsulfanylbenzene;propane
CID 144523197
5-(2-chloro-6-fluorophenyl)-1H-pyrazole
CID 130570620
5-(2,6-dichlorophenyl)-1H-pyrazole
CID 15766319
5-(2-fluoro-3-methylphenyl)-1H-pyrazole
CID 83808322
5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole
CID 15049820
2-methyl-6-(1H-pyrazol-5-yl)aniline
CID 118989265
1-chloro-2-methylbenzene;dihydrochloride
CID 174485339
1-[2-(2-chloro-6-methylphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
CID 144908684
5-[(2,6-dimethylphenyl)methyl]-1H-pyrazole
CID 118798785

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole?
The IUPAC name of 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole (CID 139624528) is 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole?
The canonical SMILES for 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole is Cc1cccc(Cl)c1Sc1ccn[nH]1.
What is the InChIKey of 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole?
The InChIKey is FCCMZQOILGLLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-7-3-2-4-8(11)10(7)14-9-5-6-12-13-9/h2-6H,1H3,(H,12,13).
What are the key properties of 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole?
5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole has a molecular weight of 224.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole is sourced from PubChem (CID 139624528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).