3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole

C5H3Br2F3N2 — CID 114692404

IUPAC3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1nc(Br)cc1Br
InChIInChI=1S/C5H3Br2F3N2/c6-3-1-4(7)12(11-3)2-5(8,9)10/h1H,2H2
InChIKeyOQULSFCBRXWPIY-UHFFFAOYSA-N
MW307.90 g/mol
LogP2.97
Rot. Bonds1

About 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole

3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 114692404) has the molecular formula C5H3Br2F3N2 and a molecular weight of 307.90 g/mol. Its IUPAC name is 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID114692404
Molecular FormulaC5H3Br2F3N2
Molecular Weight307.90 g/mol
Exact Mass305.86
IUPAC Name3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1nc(Br)cc1Br
InChIInChI=1S/C5H3Br2F3N2/c6-3-1-4(7)12(11-3)2-5(8,9)10/h1H,2H2
InChIKeyOQULSFCBRXWPIY-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.90
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-fluoro-1-methyl-1H-pyrazole
CID 119056960
3,5-dibromo-1-methyl-1H-pyrazole
CID 66614131
3,5-dibromo-1-ethyl-1H-pyrazole
CID 114692459
2-(3,5-dibromo-1H-pyrazol-1-yl)acetonitrile
CID 114692656
3-bromo-1-(difluoromethyl)-1H-pyrazole
CID 124251255
5-bromo-1-(difluoromethyl)-1H-pyrazole
CID 125725427
3-bromo-1-(trifluoromethyl)-1H-pyrazole
CID 131358067
5-bromo-1-(trifluoromethyl)-1H-pyrazole
CID 131363216
5-bromo-1-(2,2-difluorocyclopropyl)-1H-pyrazole
CID 137963796
5-bromo-3-iodo-1-methyl-1H-pyrazole
CID 155821264
3,5-dibromo-1-(cyclopropylmethyl)-1H-pyrazole
CID 114692401
3-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 66509450

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole (CID 114692404) is 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole is FC(F)(F)Cn1nc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is OQULSFCBRXWPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2F3N2/c6-3-1-4(7)12(11-3)2-5(8,9)10/h1H,2H2.
What are the key properties of 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole?
3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 307.90 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 114692404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).