3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole

C8H8Br2N4 — CID 114692724

IUPAC3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole
SMILESBrc1cc(Br)n(CCn2ccnc2)n1
InChIInChI=1S/C8H8Br2N4/c9-7-5-8(10)14(12-7)4-3-13-2-1-11-6-13/h1-2,5-6H,3-4H2
InChIKeyFTCJSZJSJCEYSD-UHFFFAOYSA-N
MW319.99 g/mol
LogP2.30
Rot. Bonds3

About 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole

3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole (PubChem CID 114692724) has the molecular formula C8H8Br2N4 and a molecular weight of 319.99 g/mol. Its IUPAC name is 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole
PubChem CID114692724
Molecular FormulaC8H8Br2N4
Molecular Weight319.99 g/mol
Exact Mass317.91
IUPAC Name3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole
SMILESBrc1cc(Br)n(CCn2ccnc2)n1
InChIInChI=1S/C8H8Br2N4/c9-7-5-8(10)14(12-7)4-3-13-2-1-11-6-13/h1-2,5-6H,3-4H2
InChIKeyFTCJSZJSJCEYSD-UHFFFAOYSA-N
XLogP2.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.99
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(2-imidazol-1-ylethyl)pyrazol-3-amine
CID 131183403
3,5-dibromo-1-(3-methoxy-3-methylbutyl)pyrazole
CID 102975350
3,5-dibromo-1-(2-cyclopropylethyl)pyrazole
CID 114692645
3,5-dibromo-1-(2-ethylsulfanylethyl)pyrazole
CID 114692732
2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine
CID 114692675
3,5-dibromo-1-(3-methoxypropyl)pyrazole
CID 114692681
2-imidazol-1-ylethanol
CID 159023310
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
5-bromo-2-(chloromethyl)-1-(2-imidazol-1-ylethyl)benzimidazole
CID 55139198
1-(2-chloroethyl)imidazole;hydrochloride
CID 2757503
7-imidazol-1-ylheptane-1-thiol
CID 156850258

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole?
The IUPAC name of 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole (CID 114692724) is 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole.
What is the SMILES notation for 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole?
The canonical SMILES for 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole is Brc1cc(Br)n(CCn2ccnc2)n1.
What is the InChIKey of 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole?
The InChIKey is FTCJSZJSJCEYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N4/c9-7-5-8(10)14(12-7)4-3-13-2-1-11-6-13/h1-2,5-6H,3-4H2.
What are the key properties of 3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole?
3,5-dibromo-1-(2-imidazol-1-ylethyl)pyrazole has a molecular weight of 319.99 g/mol, XLogP of 2.30, 3 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-imidazol-1-ylethyl)pyrazole is sourced from PubChem (CID 114692724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).