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

C14H27BrN4O — CID 105272187

IUPAC[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)C(OC)C(C)C)c1Br
InChIInChI=1S/C14H27BrN4O/c1-6-10-13(15)12(19(7-2)18-10)8-11(17-16)14(20-5)9(3)4/h9,11,14,17H,6-8,16H2,1-5H3
InChIKeyWKENUPNNUBFEAE-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.27
Rot. Bonds8

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

[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine (PubChem CID 105272187) 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)-3-methoxy-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
PubChem CID105272187
Molecular FormulaC14H27BrN4O
Molecular Weight347.30 g/mol
Exact Mass346.14
IUPAC Name[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCCc1nn(CC)c(CC(NN)C(OC)C(C)C)c1Br
InChIInChI=1S/C14H27BrN4O/c1-6-10-13(15)12(19(7-2)18-10)8-11(17-16)14(20-5)9(3)4/h9,11,14,17H,6-8,16H2,1-5H3
InChIKeyWKENUPNNUBFEAE-UHFFFAOYSA-N
XLogP2.27
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.27
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)-5-methoxyhexan-2-yl]hydrazine
CID 105318872
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271494
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
CID 79617561
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79488993
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615
[3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246172
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253505
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
[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)-3-methoxy-4-methylpentan-2-amine
CID 116719727
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
CID 116502490

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine (CID 105272187) is [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine is CCc1nn(CC)c(CC(NN)C(OC)C(C)C)c1Br.
What is the InChIKey of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine?
The InChIKey is WKENUPNNUBFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN4O/c1-6-10-13(15)12(19(7-2)18-10)8-11(17-16)14(20-5)9(3)4/h9,11,14,17H,6-8,16H2,1-5H3.
What are the key properties of [1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine?
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine has a molecular weight of 347.30 g/mol, XLogP of 2.27, 8 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-methoxy-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105272187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).