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

C10H5BrF4N2 — CID 29078491

IUPAC4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole
SMILESFc1ccc(-n2ncc(Br)c2C(F)(F)F)cc1
InChIInChI=1S/C10H5BrF4N2/c11-8-5-16-17(9(8)10(13,14)15)7-3-1-6(12)2-4-7/h1-5H
InChIKeyFWWHYNBPGRFZLV-UHFFFAOYSA-N
MW309.06 g/mol
LogP3.79
Rot. Bonds1

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

4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 29078491) has the molecular formula C10H5BrF4N2 and a molecular weight of 309.06 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole
PubChem CID29078491
Molecular FormulaC10H5BrF4N2
Molecular Weight309.06 g/mol
Exact Mass307.96
IUPAC Name4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole
SMILESFc1ccc(-n2ncc(Br)c2C(F)(F)F)cc1
InChIInChI=1S/C10H5BrF4N2/c11-8-5-16-17(9(8)10(13,14)15)7-3-1-6(12)2-4-7/h1-5H
InChIKeyFWWHYNBPGRFZLV-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.06
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole (CID 29078491) is 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole is Fc1ccc(-n2ncc(Br)c2C(F)(F)F)cc1.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is FWWHYNBPGRFZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF4N2/c11-8-5-16-17(9(8)10(13,14)15)7-3-1-6(12)2-4-7/h1-5H.
What are the key properties of 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole?
4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 309.06 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 29078491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).