5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole

C10H9ClN2S — CID 2807380

IUPAC5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C10H9ClN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKeyNMFILWCOJGTBKF-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.45
Rot. Bonds2

About 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole

5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole (PubChem CID 2807380) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole
PubChem CID2807380
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C10H9ClN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKeyNMFILWCOJGTBKF-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole (CID 2807380) is 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole is CSc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole?
The InChIKey is NMFILWCOJGTBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13).
What are the key properties of 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole?
5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole has a molecular weight of 224.72 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 2807380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).