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

C4H2BrF3N2 — CID 68746581

IUPAC3-bromo-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(Br)n[nH]1
InChIInChI=1S/C4H2BrF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10)
InChIKeyULONMXISWOZBAK-UHFFFAOYSA-N
MW214.97 g/mol
LogP2.19
Rot. Bonds

About 3-bromo-5-(trifluoromethyl)-1H-pyrazole

3-bromo-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 68746581) has the molecular formula C4H2BrF3N2 and a molecular weight of 214.97 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethyl)-1H-pyrazole
PubChem CID68746581
Molecular FormulaC4H2BrF3N2
Molecular Weight214.97 g/mol
Exact Mass213.94
IUPAC Name3-bromo-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(Br)n[nH]1
InChIInChI=1S/C4H2BrF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10)
InChIKeyULONMXISWOZBAK-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

Analyze 3-bromo-5-(trifluoromethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-bromo-5-(trifluoromethyl)-1H-pyrazole (CID 68746581) is 3-bromo-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-bromo-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-bromo-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(Br)n[nH]1.
What is the InChIKey of 3-bromo-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ULONMXISWOZBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10).
What are the key properties of 3-bromo-5-(trifluoromethyl)-1H-pyrazole?
3-bromo-5-(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 3-bromo-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 68746581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).