4,5-dibromo-3-(bromomethyl)-1-methylpyrazole

C5H5Br3N2 — CID 12601669

IUPAC4,5-dibromo-3-(bromomethyl)-1-methylpyrazole
SMILESCn1nc(CBr)c(Br)c1Br
InChIInChI=1S/C5H5Br3N2/c1-10-5(8)4(7)3(2-6)9-10/h2H2,1H3
InChIKeyZDJYRAZNLMCRGT-UHFFFAOYSA-N
MW332.82 g/mol
LogP2.84
Rot. Bonds1

About 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole

4,5-dibromo-3-(bromomethyl)-1-methylpyrazole (PubChem CID 12601669) has the molecular formula C5H5Br3N2 and a molecular weight of 332.82 g/mol. Its IUPAC name is 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4,5-dibromo-3-(bromomethyl)-1-methylpyrazole
PubChem CID12601669
Molecular FormulaC5H5Br3N2
Molecular Weight332.82 g/mol
Exact Mass329.80
IUPAC Name4,5-dibromo-3-(bromomethyl)-1-methylpyrazole
SMILESCn1nc(CBr)c(Br)c1Br
InChIInChI=1S/C5H5Br3N2/c1-10-5(8)4(7)3(2-6)9-10/h2H2,1H3
InChIKeyZDJYRAZNLMCRGT-UHFFFAOYSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
4-bromo-5-(bromomethyl)-2-methyltriazole
CID 59138043
6-bromo-3-(bromomethyl)-1-methylindazole
CID 171846635
4-bromo-3-(bromomethyl)-1-methylpyrazole
CID 67979675
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
4-bromo-1-methyl-3-(2-methylpropyl)pyrazole-5-carbaldehyde
CID 83912887
2-(4-bromo-1,5-dimethylpyrazol-3-yl)acetonitrile
CID 154776027
4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
CID 83910403
4-bromo-5-[2-(bromomethyl)-2-ethylbutyl]-3-ethyl-1-methylpyrazole
CID 66050243
ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 170980144
4-bromo-3-(bromomethyl)-1-methylpyrazole;4-bromo-1-methyl-3-propylpyrazole
CID 159048290
4-bromo-5-[2-(chloromethyl)-3-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66036122

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole?
The IUPAC name of 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole (CID 12601669) is 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole.
What is the SMILES notation for 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole?
The canonical SMILES for 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole is Cn1nc(CBr)c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole?
The InChIKey is ZDJYRAZNLMCRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br3N2/c1-10-5(8)4(7)3(2-6)9-10/h2H2,1H3.
What are the key properties of 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole?
4,5-dibromo-3-(bromomethyl)-1-methylpyrazole has a molecular weight of 332.82 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-(bromomethyl)-1-methylpyrazole is sourced from PubChem (CID 12601669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).