4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole

C11H11F3N2S — CID 67533722

IUPAC4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1csc(C(C)c2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2S/c1-6-3-9(17-5-6)7(2)8-4-15-16-10(8)11(12,13)14/h3-5,7H,1-2H3,(H,15,16)
InChIKeyHJMXCUWOYKZLQK-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.95
Rot. Bonds2

About 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole

4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 67533722) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
PubChem CID67533722
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESCc1csc(C(C)c2cn[nH]c2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2S/c1-6-3-9(17-5-6)7(2)8-4-15-16-10(8)11(12,13)14/h3-5,7H,1-2H3,(H,15,16)
InChIKeyHJMXCUWOYKZLQK-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole (CID 67533722) is 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole is Cc1csc(C(C)c2cn[nH]c2C(F)(F)F)c1.
What is the InChIKey of 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is HJMXCUWOYKZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-6-3-9(17-5-6)7(2)8-4-15-16-10(8)11(12,13)14/h3-5,7H,1-2H3,(H,15,16).
What are the key properties of 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole?
4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 260.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 67533722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).