4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole

C9H11BrF2N2O — CID 156901510

IUPAC4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole
SMILESFC(F)c1nn(C2CCCCO2)cc1Br
InChIInChI=1S/C9H11BrF2N2O/c10-6-5-14(13-8(6)9(11)12)7-3-1-2-4-15-7/h5,7,9H,1-4H2
InChIKeyQDLQFKFESYCYGD-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.28
Rot. Bonds2

About 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole

4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole (PubChem CID 156901510) has the molecular formula C9H11BrF2N2O and a molecular weight of 281.10 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole
PubChem CID156901510
Molecular FormulaC9H11BrF2N2O
Molecular Weight281.10 g/mol
Exact Mass280.00
IUPAC Name4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole
SMILESFC(F)c1nn(C2CCCCO2)cc1Br
InChIInChI=1S/C9H11BrF2N2O/c10-6-5-14(13-8(6)9(11)12)7-3-1-2-4-15-7/h5,7,9H,1-4H2
InChIKeyQDLQFKFESYCYGD-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(oxan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 72213067
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
1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 67468793
4-Bromo-3-(fluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole
CID 70867521
4-bromo-1-(tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 118354828
3-(Difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine
CID 122673375
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
1-(Tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 130296981
4-Bromo-1-pentyl-3-(trifluoromethyl)pyrazole
CID 135224740
4-Bromo-3-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)pyrazole
CID 135319055

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole?
The IUPAC name of 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole (CID 156901510) is 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole is FC(F)c1nn(C2CCCCO2)cc1Br.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole?
The InChIKey is QDLQFKFESYCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2O/c10-6-5-14(13-8(6)9(11)12)7-3-1-2-4-15-7/h5,7,9H,1-4H2.
What are the key properties of 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole?
4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole has a molecular weight of 281.10 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 156901510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).