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

C14H27BrN4O — CID 105318872

IUPAC[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
SMILESCCc1nn(CC)c(CC(CCC(C)OC)NN)c1Br
InChIInChI=1S/C14H27BrN4O/c1-5-12-14(15)13(19(6-2)18-12)9-11(17-16)8-7-10(3)20-4/h10-11,17H,5-9,16H2,1-4H3
InChIKeyJORJCOOFOKKODA-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.42
Rot. Bonds9

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

[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine (PubChem CID 105318872) has the molecular formula C14H27BrN4O and a molecular weight of 347.30 g/mol. Its IUPAC name is [1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
PubChem CID105318872
Molecular FormulaC14H27BrN4O
Molecular Weight347.30 g/mol
Exact Mass346.14
IUPAC Name[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
SMILESCCc1nn(CC)c(CC(CCC(C)OC)NN)c1Br
InChIInChI=1S/C14H27BrN4O/c1-5-12-14(15)13(19(6-2)18-12)9-11(17-16)8-7-10(3)20-4/h10-11,17H,5-9,16H2,1-4H3
InChIKeyJORJCOOFOKKODA-UHFFFAOYSA-N
XLogP2.42
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.42
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-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
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[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212505
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206281
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271494
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)-N-ethyl-4-propoxybutan-2-amine
CID 105162231
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105002335
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine (CID 105318872) is [1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine is CCc1nn(CC)c(CC(CCC(C)OC)NN)c1Br.
What is the InChIKey of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine?
The InChIKey is JORJCOOFOKKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN4O/c1-5-12-14(15)13(19(6-2)18-12)9-11(17-16)8-7-10(3)20-4/h10-11,17H,5-9,16H2,1-4H3.
What are the key properties of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine?
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine has a molecular weight of 347.30 g/mol, XLogP of 2.42, 9 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)-5-methoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105318872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).