3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole

C10H6F6N2O2S2 — CID 142000739

IUPAC3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C(F)(F)F)n2)s1
InChIInChI=1S/C10H6F6N2O2S2/c1-22(19,20)8-3-2-6(21-8)5-4-7(9(11,12)13)18(17-5)10(14,15)16/h2-4H,1H3
InChIKeyDJQYGZVSMGECDC-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.51
Rot. Bonds2

About 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole

3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole (PubChem CID 142000739) has the molecular formula C10H6F6N2O2S2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole
PubChem CID142000739
Molecular FormulaC10H6F6N2O2S2
Molecular Weight364.29 g/mol
Exact Mass363.98
IUPAC Name3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C(F)(F)F)n2)s1
InChIInChI=1S/C10H6F6N2O2S2/c1-22(19,20)8-3-2-6(21-8)5-4-7(9(11,12)13)18(17-5)10(14,15)16/h2-4H,1H3
InChIKeyDJQYGZVSMGECDC-UHFFFAOYSA-N
XLogP3.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole?
The IUPAC name of 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole (CID 142000739) is 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C(F)(F)F)n2)s1.
What is the InChIKey of 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole?
The InChIKey is DJQYGZVSMGECDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2O2S2/c1-22(19,20)8-3-2-6(21-8)5-4-7(9(11,12)13)18(17-5)10(14,15)16/h2-4H,1H3.
What are the key properties of 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole?
3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole has a molecular weight of 364.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole is sourced from PubChem (CID 142000739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).