3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole

C8H12Br2N2O2 — CID 114692436

IUPAC3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole
SMILESCOCCOCCn1nc(Br)cc1Br
InChIInChI=1S/C8H12Br2N2O2/c1-13-4-5-14-3-2-12-8(10)6-7(9)11-12/h6H,2-5H2,1H3
InChIKeyOWHDKMGONVKRHE-UHFFFAOYSA-N
MW328.00 g/mol
LogP2.07
Rot. Bonds6

About 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole

3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole (PubChem CID 114692436) has the molecular formula C8H12Br2N2O2 and a molecular weight of 328.00 g/mol. Its IUPAC name is 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole
PubChem CID114692436
Molecular FormulaC8H12Br2N2O2
Molecular Weight328.00 g/mol
Exact Mass325.93
IUPAC Name3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole
SMILESCOCCOCCn1nc(Br)cc1Br
InChIInChI=1S/C8H12Br2N2O2/c1-13-4-5-14-3-2-12-8(10)6-7(9)11-12/h6H,2-5H2,1H3
InChIKeyOWHDKMGONVKRHE-UHFFFAOYSA-N
XLogP2.07
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.00
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-1-(3-methoxypropyl)pyrazole
CID 114692681
3,5-dibromo-1-(3-methoxy-3-methylbutyl)pyrazole
CID 102975350
3,5-dibromo-1-(2-ethylsulfanylethyl)pyrazole
CID 114692732
2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine
CID 114692675
3,4-dibromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
CID 171472470
3,5-dibromo-1-(3-methylbut-3-enyl)pyrazole
CID 114692453
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole
CID 116626321
3,5-dibromo-1-(2,2,2-trifluoroethyl)pyrazole
CID 114692404
4-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104568877
3,5-dibromo-1-(2-cyclopropylethyl)pyrazole
CID 114692645
2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103217939
1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine
CID 79506222

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole?
The IUPAC name of 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole (CID 114692436) is 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole.
What is the SMILES notation for 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole?
The canonical SMILES for 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole is COCCOCCn1nc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole?
The InChIKey is OWHDKMGONVKRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2N2O2/c1-13-4-5-14-3-2-12-8(10)6-7(9)11-12/h6H,2-5H2,1H3.
What are the key properties of 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole?
3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole has a molecular weight of 328.00 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[2-(2-methoxyethoxy)ethyl]pyrazole is sourced from PubChem (CID 114692436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).