3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole

C4HBr2F3N2 — CID 53439915

IUPAC3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]nc(Br)c1Br
InChIInChI=1S/C4HBr2F3N2/c5-1-2(4(7,8)9)10-11-3(1)6/h(H,10,11)
InChIKeyVHHYNYQILBLCLP-UHFFFAOYSA-N
MW293.87 g/mol
LogP2.95
Rot. Bonds

About 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole

3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 53439915) has the molecular formula C4HBr2F3N2 and a molecular weight of 293.87 g/mol. Its IUPAC name is 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole
PubChem CID53439915
Molecular FormulaC4HBr2F3N2
Molecular Weight293.87 g/mol
Exact Mass291.85
IUPAC Name3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]nc(Br)c1Br
InChIInChI=1S/C4HBr2F3N2/c5-1-2(4(7,8)9)10-11-3(1)6/h(H,10,11)
InChIKeyVHHYNYQILBLCLP-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.87
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole (CID 53439915) is 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]nc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is VHHYNYQILBLCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBr2F3N2/c5-1-2(4(7,8)9)10-11-3(1)6/h(H,10,11).
What are the key properties of 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole?
3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 293.87 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 53439915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).