[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine

C13H18Br2N4O — CID 105318898

IUPAC[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)c2ccc(Br)o2)c1Br
InChIInChI=1S/C13H18Br2N4O/c1-3-8-13(15)10(19(4-2)18-8)7-9(17-16)11-5-6-12(14)20-11/h5-6,9,17H,3-4,7,16H2,1-2H3
InChIKeyJENMVKNSCSLMGE-UHFFFAOYSA-N
MW406.12 g/mol
LogP3.33
Rot. Bonds6

About [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine

[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine (PubChem CID 105318898) has the molecular formula C13H18Br2N4O and a molecular weight of 406.12 g/mol. Its IUPAC name is [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine
PubChem CID105318898
Molecular FormulaC13H18Br2N4O
Molecular Weight406.12 g/mol
Exact Mass403.98
IUPAC Name[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)c2ccc(Br)o2)c1Br
InChIInChI=1S/C13H18Br2N4O/c1-3-8-13(15)10(19(4-2)18-8)7-9(17-16)11-5-6-12(14)20-11/h5-6,9,17H,3-4,7,16H2,1-2H3
InChIKeyJENMVKNSCSLMGE-UHFFFAOYSA-N
XLogP3.33
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
CID 106692453
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222593
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
CID 106756613
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105258683
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212505
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106692448
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253505
[1-(5-bromofuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321933
[1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296487

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine (CID 105318898) is [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine is CCc1nn(CC)c(CC(NN)c2ccc(Br)o2)c1Br.
What is the InChIKey of [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine?
The InChIKey is JENMVKNSCSLMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N4O/c1-3-8-13(15)10(19(4-2)18-8)7-9(17-16)11-5-6-12(14)20-11/h5-6,9,17H,3-4,7,16H2,1-2H3.
What are the key properties of [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine?
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine has a molecular weight of 406.12 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105318898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).