3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole

C8H4BrF3N2S — CID 59632574

IUPAC3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Br)s2)n[nH]1
InChIInChI=1S/C8H4BrF3N2S/c9-7-2-1-5(15-7)4-3-6(14-13-4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyQZUFDVYYUCFGQV-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.92
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole

3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 59632574) has the molecular formula C8H4BrF3N2S and a molecular weight of 297.10 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID59632574
Molecular FormulaC8H4BrF3N2S
Molecular Weight297.10 g/mol
Exact Mass295.92
IUPAC Name3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Br)s2)n[nH]1
InChIInChI=1S/C8H4BrF3N2S/c9-7-2-1-5(15-7)4-3-6(14-13-4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyQZUFDVYYUCFGQV-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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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole (CID 59632574) is 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(-c2ccc(Br)s2)n[nH]1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is QZUFDVYYUCFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2S/c9-7-2-1-5(15-7)4-3-6(14-13-4)8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-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 3-(5-bromothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 59632574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).