4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole

C10H8ClFN2S — CID 21071143

IUPAC4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1n[nH]c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H8ClFN2S/c1-15-10-8(11)9(13-14-10)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,13,14)
InChIKeySBKISCQYMYHQHK-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.59
Rot. Bonds2

About 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole

4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole (PubChem CID 21071143) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole
PubChem CID21071143
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1n[nH]c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H8ClFN2S/c1-15-10-8(11)9(13-14-10)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,13,14)
InChIKeySBKISCQYMYHQHK-UHFFFAOYSA-N
XLogP3.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole?
The IUPAC name of 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole (CID 21071143) is 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole is CSc1n[nH]c(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole?
The InChIKey is SBKISCQYMYHQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c1-15-10-8(11)9(13-14-10)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,13,14).
What are the key properties of 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole?
4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole has a molecular weight of 242.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 21071143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).