5-bromo-4-(trifluoromethyl)-1H-pyrazole

C4H2BrF3N2 — CID 84734886

IUPAC5-bromo-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cn[nH]c1Br
InChIInChI=1S/C4H2BrF3N2/c5-3-2(1-9-10-3)4(6,7)8/h1H,(H,9,10)
InChIKeyLURICFKQKMFTLN-UHFFFAOYSA-N
MW214.97 g/mol
LogP2.19
Rot. Bonds

About 5-bromo-4-(trifluoromethyl)-1H-pyrazole

5-bromo-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 84734886) has the molecular formula C4H2BrF3N2 and a molecular weight of 214.97 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)-1H-pyrazole
PubChem CID84734886
Molecular FormulaC4H2BrF3N2
Molecular Weight214.97 g/mol
Exact Mass213.94
IUPAC Name5-bromo-4-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cn[nH]c1Br
InChIInChI=1S/C4H2BrF3N2/c5-3-2(1-9-10-3)4(6,7)8/h1H,(H,9,10)
InChIKeyLURICFKQKMFTLN-UHFFFAOYSA-N
XLogP2.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.97
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-bromo-4-(trifluoromethyl)-1H-pyrazole (CID 84734886) is 5-bromo-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cn[nH]c1Br.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is LURICFKQKMFTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF3N2/c5-3-2(1-9-10-3)4(6,7)8/h1H,(H,9,10).
What are the key properties of 5-bromo-4-(trifluoromethyl)-1H-pyrazole?
5-bromo-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 214.97 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 84734886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).