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

C8H5F3N2S — CID 150661370

IUPAC5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
SMILESFC(F)(F)c1csc(-c2ccn[nH]2)c1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)5-3-7(14-4-5)6-1-2-12-13-6/h1-4H,(H,12,13)
InChIKeyJDYHRGFNAJAPQC-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.16
Rot. Bonds1

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

5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole (PubChem CID 150661370) has the molecular formula C8H5F3N2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
PubChem CID150661370
Molecular FormulaC8H5F3N2S
Molecular Weight218.20 g/mol
Exact Mass218.01
IUPAC Name5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
SMILESFC(F)(F)c1csc(-c2ccn[nH]2)c1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)5-3-7(14-4-5)6-1-2-12-13-6/h1-4H,(H,12,13)
InChIKeyJDYHRGFNAJAPQC-UHFFFAOYSA-N
XLogP3.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole?
The IUPAC name of 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole (CID 150661370) is 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole is FC(F)(F)c1csc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole?
The InChIKey is JDYHRGFNAJAPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S/c9-8(10,11)5-3-7(14-4-5)6-1-2-12-13-6/h1-4H,(H,12,13).
What are the key properties of 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole?
5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole has a molecular weight of 218.20 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole is sourced from PubChem (CID 150661370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).