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

C15H29BrN4O — CID 105271494

IUPAC[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
SMILESCCCC(OCC)C(Cc1c(Br)c(CC)nn1CC)NN
InChIInChI=1S/C15H29BrN4O/c1-5-9-14(21-8-4)12(18-17)10-13-15(16)11(6-2)19-20(13)7-3/h12,14,18H,5-10,17H2,1-4H3
InChIKeyHEAOUCXOHYBVTR-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.81
Rot. Bonds10

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

[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine (PubChem CID 105271494) has the molecular formula C15H29BrN4O and a molecular weight of 361.33 g/mol. Its IUPAC name is [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
PubChem CID105271494
Molecular FormulaC15H29BrN4O
Molecular Weight361.33 g/mol
Exact Mass360.15
IUPAC Name[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
SMILESCCCC(OCC)C(Cc1c(Br)c(CC)nn1CC)NN
InChIInChI=1S/C15H29BrN4O/c1-5-9-14(21-8-4)12(18-17)10-13-15(16)11(6-2)19-20(13)7-3/h12,14,18H,5-10,17H2,1-4H3
InChIKeyHEAOUCXOHYBVTR-UHFFFAOYSA-N
XLogP2.81
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.81
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

[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271455
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272187
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105318872
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79488993
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
CID 79617561
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253505
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methyloctan-2-amine
CID 105002309
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212505
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpentan-2-yl]hydrazine
CID 105314862

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine (CID 105271494) is [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine is CCCC(OCC)C(Cc1c(Br)c(CC)nn1CC)NN.
What is the InChIKey of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine?
The InChIKey is HEAOUCXOHYBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrN4O/c1-5-9-14(21-8-4)12(18-17)10-13-15(16)11(6-2)19-20(13)7-3/h12,14,18H,5-10,17H2,1-4H3.
What are the key properties of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine?
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine has a molecular weight of 361.33 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105271494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).