3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole

C9H11BrF2N2O — CID 164945754

IUPAC3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole
SMILESFC(F)c1cc(Br)nn1C1CCOCC1
InChIInChI=1S/C9H11BrF2N2O/c10-8-5-7(9(11)12)14(13-8)6-1-3-15-4-2-6/h5-6,9H,1-4H2
InChIKeyVZMQPZJRLQBEEI-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.93
Rot. Bonds2

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

3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole (PubChem CID 164945754) has the molecular formula C9H11BrF2N2O and a molecular weight of 281.10 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole
PubChem CID164945754
Molecular FormulaC9H11BrF2N2O
Molecular Weight281.10 g/mol
Exact Mass280.00
IUPAC Name3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole
SMILESFC(F)c1cc(Br)nn1C1CCOCC1
InChIInChI=1S/C9H11BrF2N2O/c10-8-5-7(9(11)12)14(13-8)6-1-3-15-4-2-6/h5-6,9H,1-4H2
InChIKeyVZMQPZJRLQBEEI-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-methyl-1-(oxan-2-yl)-1H-pyrazole
CID 132167367
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
3,4-Dibromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole
CID 137408024
5-Bromo-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 142746832
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-[(3S)-oxolan-3-yl]pyrazole
CID 149641498
3-Bromo-5-(difluoromethyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 156498227
5-Bromo-1-cyclobutyl-3-(trifluoromethyl)-1H-pyrazole
CID 162341862
3-Methyl-1-(oxan-4-yl)-5-(trifluoromethyl)pyrazole
CID 167272566
2-[[5-Bromo-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,4-oxaborinane-4-carbonitrile
CID 168952650

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The IUPAC name of 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole (CID 164945754) is 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole is FC(F)c1cc(Br)nn1C1CCOCC1.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
The InChIKey is VZMQPZJRLQBEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2O/c10-8-5-7(9(11)12)14(13-8)6-1-3-15-4-2-6/h5-6,9H,1-4H2.
What are the key properties of 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole?
3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole has a molecular weight of 281.10 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 164945754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).