3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole

C10H16Br2N2O3 — CID 171472470

IUPAC3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
SMILESCOCCOCCOCCn1cc(Br)c(Br)n1
InChIInChI=1S/C10H16Br2N2O3/c1-15-4-5-17-7-6-16-3-2-14-8-9(11)10(12)13-14/h8H,2-7H2,1H3
InChIKeyGWGFUGWSMQFVSB-UHFFFAOYSA-N
MW372.06 g/mol
LogP2.09
Rot. Bonds9

About 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole

3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole (PubChem CID 171472470) has the molecular formula C10H16Br2N2O3 and a molecular weight of 372.06 g/mol. Its IUPAC name is 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole.

Molecular Properties

Compound Name3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
PubChem CID171472470
Molecular FormulaC10H16Br2N2O3
Molecular Weight372.06 g/mol
Exact Mass369.95
IUPAC Name3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
SMILESCOCCOCCOCCn1cc(Br)c(Br)n1
InChIInChI=1S/C10H16Br2N2O3/c1-15-4-5-17-7-6-16-3-2-14-8-9(11)10(12)13-14/h8H,2-7H2,1H3
InChIKeyGWGFUGWSMQFVSB-UHFFFAOYSA-N
XLogP2.09
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-1-(2-methoxyethyl)-1H-pyrazole
CID 23247855
1-(ethoxyethyl)-4-bromo-1H-pyrazole
CID 4640410
2-[2-(4-bromo-1H-pyrazol-1-yl)ethoxy]ethan-1-ol
CID 61071655
4-bromo-1-[(2-methoxyethoxy)methyl]-1H-pyrazole
CID 165758870
2-[(3,4-Dibromopyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 15640872
4-bromo-5-fluoro-1-(2-methoxyethyl)-1H-pyrazole
CID 165674092
3,4-Dibromopyrazole-1-ethanol
CID 20327973
3,4-Dibromo-beta-methylpyrazole-1-ethanol
CID 20327982
2-(4-Bromo-1-pyrazolyl)ethyl Acetate
CID 49758532
4-bromo-1-(2-ethoxyethyl)-1H-pyrazole
CID 51892139
4-Bromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole
CID 64190240
1H-Pyrazole, 4-iodo-1-[2-(2-methoxyethoxy)ethyl]-
CID 64429550

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole?
The IUPAC name of 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole (CID 171472470) is 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole.
What is the SMILES notation for 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole?
The canonical SMILES for 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole is COCCOCCOCCn1cc(Br)c(Br)n1.
What is the InChIKey of 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole?
The InChIKey is GWGFUGWSMQFVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2O3/c1-15-4-5-17-7-6-16-3-2-14-8-9(11)10(12)13-14/h8H,2-7H2,1H3.
What are the key properties of 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole?
3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole has a molecular weight of 372.06 g/mol, XLogP of 2.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole is sourced from PubChem (CID 171472470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).