2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C7H3BrF3N3S — CID 118016480

IUPAC2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1nn(-c2nccs2)cc1Br
InChIInChI=1S/C7H3BrF3N3S/c8-4-3-14(6-12-1-2-15-6)13-5(4)7(9,10)11/h1-3H
InChIKeyGOBJZERQOCCWTJ-UHFFFAOYSA-N
MW298.09 g/mol
LogP3.11
Rot. Bonds1

About 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 118016480) has the molecular formula C7H3BrF3N3S and a molecular weight of 298.09 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID118016480
Molecular FormulaC7H3BrF3N3S
Molecular Weight298.09 g/mol
Exact Mass296.92
IUPAC Name2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1nn(-c2nccs2)cc1Br
InChIInChI=1S/C7H3BrF3N3S/c8-4-3-14(6-12-1-2-15-6)13-5(4)7(9,10)11/h1-3H
InChIKeyGOBJZERQOCCWTJ-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 118016480) is 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1nn(-c2nccs2)cc1Br.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is GOBJZERQOCCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3S/c8-4-3-14(6-12-1-2-15-6)13-5(4)7(9,10)11/h1-3H.
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 298.09 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 118016480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).