5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole

C10H9ClN2S — CID 139624533

IUPAC5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole
SMILESCc1ccc(Sc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C10H9ClN2S/c1-7-2-3-9(8(11)6-7)14-10-4-5-12-13-10/h2-6H,1H3,(H,12,13)
InChIKeyGBRSMXLDMFZSBL-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.52
Rot. Bonds2

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

5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole (PubChem CID 139624533) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole
PubChem CID139624533
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole
SMILESCc1ccc(Sc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C10H9ClN2S/c1-7-2-3-9(8(11)6-7)14-10-4-5-12-13-10/h2-6H,1H3,(H,12,13)
InChIKeyGBRSMXLDMFZSBL-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-fluoro-5-methoxyphenyl)sulfanyl-1H-pyrazole
CID 174313540
5-(2-chloro-6-methylphenyl)sulfanyl-1H-pyrazole
CID 139624528
(2-chloro-4-methylphenyl) thiohypofluorite
CID 144706929
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
4-[2-(2-chloro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine
CID 11174944
2-methyl-6-(1H-pyrazol-5-ylsulfanyl)pyridine
CID 152552822
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
O-(2-chloro-5-methylphenyl)sulfanylhydroxylamine
CID 143470684
2-chloro-4-methylaniline
CID 12007
4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol
CID 143476440
4-(2-chloro-4-methylphenyl)pyridine
CID 46317056
(1S)-1-[3-chloro-4-(2,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 78944451

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole?
The IUPAC name of 5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole (CID 139624533) is 5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole is Cc1ccc(Sc2ccn[nH]2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole?
The InChIKey is GBRSMXLDMFZSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-7-2-3-9(8(11)6-7)14-10-4-5-12-13-10/h2-6H,1H3,(H,12,13).
What are the key properties of 5-(2-chloro-4-methylphenyl)sulfanyl-1H-pyrazole?
5-(2-chloro-4-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-4-methylphenyl)sulfanyl-1H-pyrazole is sourced from PubChem (CID 139624533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).