3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole

C9H10Br2F2N2O — CID 137408024

IUPAC3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole
SMILESFC(F)c1c(Br)c(Br)nn1C1CCOCC1
InChIInChI=1S/C9H10Br2F2N2O/c10-6-7(9(12)13)15(14-8(6)11)5-1-3-16-4-2-5/h5,9H,1-4H2
InChIKeyJGBQHIBLVWIRRG-UHFFFAOYSA-N
MW360.00 g/mol
LogP3.70
Rot. Bonds2

About 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole

3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole (PubChem CID 137408024) has the molecular formula C9H10Br2F2N2O and a molecular weight of 360.00 g/mol. Its IUPAC name is 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole
PubChem CID137408024
Molecular FormulaC9H10Br2F2N2O
Molecular Weight360.00 g/mol
Exact Mass357.91
IUPAC Name3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole
SMILESFC(F)c1c(Br)c(Br)nn1C1CCOCC1
InChIInChI=1S/C9H10Br2F2N2O/c10-6-7(9(12)13)15(14-8(6)11)5-1-3-16-4-2-5/h5,9H,1-4H2
InChIKeyJGBQHIBLVWIRRG-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.00
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-5-methyl-1-(tetrahydro-pyran-2-yl)-3-trifluoromethyl-1H-pyrazole
CID 59331983
4-bromo-3-(difluoromethyl)-5-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 66887014
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
4-Bromo-3-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole
CID 135319055
4-Bromo-3-(difluoromethyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
CID 146598300
4-Bromo-5-(difluoromethyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
CID 146650938
3-Bromo-5-(difluoromethyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 156498227
3-Bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole
CID 164945754
4-Bromo-3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole
CID 55038897
5-bromo-1-[(2S)-oxan-2-yl]-3-(trifluoromethyl)pyrazole
CID 171991599
4-Bromo-5-methyl-1-(tetrahydro-2H-pyran-4-YL)-1H-pyrazole
CID 118386399

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The IUPAC name of 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole (CID 137408024) is 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole is FC(F)c1c(Br)c(Br)nn1C1CCOCC1.
What is the InChIKey of 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The InChIKey is JGBQHIBLVWIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2F2N2O/c10-6-7(9(12)13)15(14-8(6)11)5-1-3-16-4-2-5/h5,9H,1-4H2.
What are the key properties of 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole has a molecular weight of 360.00 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 137408024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).