5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole

C8H8BrF3N2O — CID 142746832

IUPAC5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(Br)n(CC2COC2)n1
InChIInChI=1S/C8H8BrF3N2O/c9-7-1-6(8(10,11)12)13-14(7)2-5-3-15-4-5/h1,5H,2-4H2
InChIKeyMCPBAVDAHAEWHJ-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.31
Rot. Bonds2

About 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole

5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 142746832) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID142746832
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(Br)n(CC2COC2)n1
InChIInChI=1S/C8H8BrF3N2O/c9-7-1-6(8(10,11)12)13-14(7)2-5-3-15-4-5/h1,5H,2-4H2
InChIKeyMCPBAVDAHAEWHJ-UHFFFAOYSA-N
XLogP2.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 12061635
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CID 135086472
3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 66509429
5-Bromo-1-isopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 90162778
3-Bromo-1-(tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 129031309
5-Bromo-1-(oxan-2-YL)-3-(trifluoromethyl)-1H-pyrazole
CID 129047195
2-[5-Bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 142746839
5-Bromo-1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazole
CID 142746842
3-bromo-5-(difluoromethyl)-1-[(3S)-oxolan-3-yl]pyrazole
CID 149641498
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151156877
3-Bromo-5-(difluoromethyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 156498227
5-Bromo-1-cyclobutyl-3-(trifluoromethyl)-1H-pyrazole
CID 162341862

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole (CID 142746832) is 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(Br)n(CC2COC2)n1.
What is the InChIKey of 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is MCPBAVDAHAEWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-7-1-6(8(10,11)12)13-14(7)2-5-3-15-4-5/h1,5H,2-4H2.
What are the key properties of 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 285.06 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 142746832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).