3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole

C9H10Br2N4 — CID 114692754

IUPAC3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole
SMILESCCn1ccnc1Cn1nc(Br)cc1Br
InChIInChI=1S/C9H10Br2N4/c1-2-14-4-3-12-9(14)6-15-8(11)5-7(10)13-15/h3-5H,2,6H2,1H3
InChIKeyJTRBBIOUTIHMNJ-UHFFFAOYSA-N
MW334.02 g/mol
LogP2.67
Rot. Bonds3

About 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole

3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole (PubChem CID 114692754) has the molecular formula C9H10Br2N4 and a molecular weight of 334.02 g/mol. Its IUPAC name is 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole
PubChem CID114692754
Molecular FormulaC9H10Br2N4
Molecular Weight334.02 g/mol
Exact Mass331.93
IUPAC Name3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole
SMILESCCn1ccnc1Cn1nc(Br)cc1Br
InChIInChI=1S/C9H10Br2N4/c1-2-14-4-3-12-9(14)6-15-8(11)5-7(10)13-15/h3-5H,2,6H2,1H3
InChIKeyJTRBBIOUTIHMNJ-UHFFFAOYSA-N
XLogP2.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.02
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole?
The IUPAC name of 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole (CID 114692754) is 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole.
What is the SMILES notation for 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole?
The canonical SMILES for 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole is CCn1ccnc1Cn1nc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole?
The InChIKey is JTRBBIOUTIHMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N4/c1-2-14-4-3-12-9(14)6-15-8(11)5-7(10)13-15/h3-5H,2,6H2,1H3.
What are the key properties of 3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole?
3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole has a molecular weight of 334.02 g/mol, XLogP of 2.67, 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-[(1-ethylimidazol-2-yl)methyl]pyrazole is sourced from PubChem (CID 114692754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).