5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole

C8H4BrF3N2S — CID 174313544

IUPAC5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole
SMILESFC(F)(F)c1scc(Br)c1-c1ccn[nH]1
InChIInChI=1S/C8H4BrF3N2S/c9-4-3-15-7(8(10,11)12)6(4)5-1-2-13-14-5/h1-3H,(H,13,14)
InChIKeyNBSPJUWHBSXCJR-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.92
Rot. Bonds1

About 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole

5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole (PubChem CID 174313544) has the molecular formula C8H4BrF3N2S and a molecular weight of 297.10 g/mol. Its IUPAC name is 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole
PubChem CID174313544
Molecular FormulaC8H4BrF3N2S
Molecular Weight297.10 g/mol
Exact Mass295.92
IUPAC Name5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole
SMILESFC(F)(F)c1scc(Br)c1-c1ccn[nH]1
InChIInChI=1S/C8H4BrF3N2S/c9-4-3-15-7(8(10,11)12)6(4)5-1-2-13-14-5/h1-3H,(H,13,14)
InChIKeyNBSPJUWHBSXCJR-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethyl-3-thienyl)-1H-pyrazole
CID 3818016
5-(3-bromothiophen-2-yl)-1H-pyrazole
CID 1478049
5-(3-Thienyl)-1h-pyrazole
CID 729699
5-(5-bromothiophen-2-yl)-1H-pyrazole
CID 2735626
5-(5-bromothiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 59632574
3-(2-methylthiophen-3-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 67760007
5-[3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
CID 69885601
4-(thiophen-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 90983994
5-[4-chloro-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole
CID 174316133
5-[4-fluoro-3-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
CID 174316135
5-(2,4-difluorothiophen-3-yl)-4-fluoro-1H-pyrazole
CID 174329635
5-(2,5-difluorothiophen-3-yl)-1H-pyrazole
CID 174329640

Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole?
The IUPAC name of 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole (CID 174313544) is 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole is FC(F)(F)c1scc(Br)c1-c1ccn[nH]1.
What is the InChIKey of 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole?
The InChIKey is NBSPJUWHBSXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2S/c9-4-3-15-7(8(10,11)12)6(4)5-1-2-13-14-5/h1-3H,(H,13,14).
What are the key properties of 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole?
5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole has a molecular weight of 297.10 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-2-(trifluoromethyl)thiophen-3-yl]-1H-pyrazole is sourced from PubChem (CID 174313544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).