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

C8H3BrF6N4 — CID 173140171

IUPAC3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole
SMILESFC(F)(F)c1ccn(-c2c(Br)n[nH]c2C(F)(F)F)n1
InChIInChI=1S/C8H3BrF6N4/c9-6-4(5(16-17-6)8(13,14)15)19-2-1-3(18-19)7(10,11)12/h1-2H,(H,16,17)
InChIKeyZJDXFTCEEAGHMA-UHFFFAOYSA-N
MW349.03 g/mol
LogP3.40
Rot. Bonds1

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

3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole (PubChem CID 173140171) has the molecular formula C8H3BrF6N4 and a molecular weight of 349.03 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole
PubChem CID173140171
Molecular FormulaC8H3BrF6N4
Molecular Weight349.03 g/mol
Exact Mass347.94
IUPAC Name3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole
SMILESFC(F)(F)c1ccn(-c2c(Br)n[nH]c2C(F)(F)F)n1
InChIInChI=1S/C8H3BrF6N4/c9-6-4(5(16-17-6)8(13,14)15)19-2-1-3(18-19)7(10,11)12/h1-2H,(H,16,17)
InChIKeyZJDXFTCEEAGHMA-UHFFFAOYSA-N
XLogP3.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.03
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole?
The IUPAC name of 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole (CID 173140171) is 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole.
What is the SMILES notation for 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole?
The canonical SMILES for 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole is FC(F)(F)c1ccn(-c2c(Br)n[nH]c2C(F)(F)F)n1.
What is the InChIKey of 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole?
The InChIKey is ZJDXFTCEEAGHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6N4/c9-6-4(5(16-17-6)8(13,14)15)19-2-1-3(18-19)7(10,11)12/h1-2H,(H,16,17).
What are the key properties of 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole?
3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole has a molecular weight of 349.03 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole is sourced from PubChem (CID 173140171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).