4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole

C10H15Br3N2 — CID 79453099

IUPAC4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1CC(CBr)CBr
InChIInChI=1S/C10H15Br3N2/c1-3-15-9(4-8(5-11)6-12)10(13)7(2)14-15/h8H,3-6H2,1-2H3
InChIKeyTWQWPZOWPBZCQJ-UHFFFAOYSA-N
MW402.96 g/mol
LogP3.92
Rot. Bonds5

About 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole

4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole (PubChem CID 79453099) has the molecular formula C10H15Br3N2 and a molecular weight of 402.96 g/mol. Its IUPAC name is 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
PubChem CID79453099
Molecular FormulaC10H15Br3N2
Molecular Weight402.96 g/mol
Exact Mass399.88
IUPAC Name4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1CC(CBr)CBr
InChIInChI=1S/C10H15Br3N2/c1-3-15-9(4-8(5-11)6-12)10(13)7(2)14-15/h8H,3-6H2,1-2H3
InChIKeyTWQWPZOWPBZCQJ-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.96
LogP ≤ 53.92
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

2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163
4-bromo-5-[2-(chloromethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66033406
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
CID 104998240
1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
CID 104555001
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-N-methylbutan-2-amine
CID 79616805
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139794
4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79455166
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037857
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107985117
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-pyrimidin-5-ylethanol
CID 102924052
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105107249
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
CID 104998312

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole (CID 79453099) is 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole is CCn1nc(C)c(Br)c1CC(CBr)CBr.
What is the InChIKey of 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole?
The InChIKey is TWQWPZOWPBZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br3N2/c1-3-15-9(4-8(5-11)6-12)10(13)7(2)14-15/h8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole?
4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole has a molecular weight of 402.96 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 79453099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).