1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole

C10H7BrF2N2 — CID 107085667

IUPAC1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole
SMILESFc1cc(CBr)cc(F)c1-n1cccn1
InChIInChI=1S/C10H7BrF2N2/c11-6-7-4-8(12)10(9(13)5-7)15-3-1-2-14-15/h1-5H,6H2
InChIKeyXPXUCTRMRHUIOI-UHFFFAOYSA-N
MW273.08 g/mol
LogP3.05
Rot. Bonds2

About 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole

1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole (PubChem CID 107085667) has the molecular formula C10H7BrF2N2 and a molecular weight of 273.08 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole
PubChem CID107085667
Molecular FormulaC10H7BrF2N2
Molecular Weight273.08 g/mol
Exact Mass271.98
IUPAC Name1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole
SMILESFc1cc(CBr)cc(F)c1-n1cccn1
InChIInChI=1S/C10H7BrF2N2/c11-6-7-4-8(12)10(9(13)5-7)15-3-1-2-14-15/h1-5H,6H2
InChIKeyXPXUCTRMRHUIOI-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[4-(bromomethyl)-2,6-difluorophenyl]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

1-(4-bromo-2,6-difluorophenyl)pyrazole
CID 130121393
3,5-difluoro-2-methyl-4-pyrazol-1-ylaniline;ethane
CID 164916885
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine
CID 20771923
2-[4-(bromomethyl)-2,6-difluorophenyl]-2-azabicyclo[2.2.1]heptane
CID 107081637
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
1-[3-(chloromethyl)-5-fluorophenyl]pyrazole
CID 106530554
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 43275370
2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol
CID 15733086
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
1-[(3-bromo-5-fluoro-4-isocyanophenyl)methyl]pyrazole
CID 155654720

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole?
The IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole (CID 107085667) is 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole.
What is the SMILES notation for 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole?
The canonical SMILES for 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole is Fc1cc(CBr)cc(F)c1-n1cccn1.
What is the InChIKey of 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole?
The InChIKey is XPXUCTRMRHUIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2/c11-6-7-4-8(12)10(9(13)5-7)15-3-1-2-14-15/h1-5H,6H2.
What are the key properties of 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole?
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole has a molecular weight of 273.08 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole is sourced from PubChem (CID 107085667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).