4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole

C10H11Br3N4 — CID 114692746

IUPAC4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1Cn1nc(Br)cc1Br
InChIInChI=1S/C10H11Br3N4/c1-3-16-7(10(13)6(2)14-16)5-17-9(12)4-8(11)15-17/h4H,3,5H2,1-2H3
InChIKeyRFWDHAIUADLUDY-UHFFFAOYSA-N
MW426.94 g/mol
LogP3.74
Rot. Bonds3

About 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole

4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole (PubChem CID 114692746) has the molecular formula C10H11Br3N4 and a molecular weight of 426.94 g/mol. Its IUPAC name is 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole
PubChem CID114692746
Molecular FormulaC10H11Br3N4
Molecular Weight426.94 g/mol
Exact Mass423.85
IUPAC Name4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)c(Br)c1Cn1nc(Br)cc1Br
InChIInChI=1S/C10H11Br3N4/c1-3-16-7(10(13)6(2)14-16)5-17-9(12)4-8(11)15-17/h4H,3,5H2,1-2H3
InChIKeyRFWDHAIUADLUDY-UHFFFAOYSA-N
XLogP3.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718188
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218474
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methylindole
CID 116623011
4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211634
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886079
3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole
CID 114692754
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-one
CID 112574212
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163
2-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
CID 116642247
1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105296
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole
CID 116620195

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole?
The IUPAC name of 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole (CID 114692746) is 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole?
The canonical SMILES for 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole is CCn1nc(C)c(Br)c1Cn1nc(Br)cc1Br.
What is the InChIKey of 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole?
The InChIKey is RFWDHAIUADLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br3N4/c1-3-16-7(10(13)6(2)14-16)5-17-9(12)4-8(11)15-17/h4H,3,5H2,1-2H3.
What are the key properties of 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole?
4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole has a molecular weight of 426.94 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 114692746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).