[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine

C12H21BrN4O — CID 105229427

IUPAC[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)C2CCOC2)c1Br
InChIInChI=1S/C12H21BrN4O/c1-3-9-12(13)11(17(2)16-9)6-10(15-14)8-4-5-18-7-8/h8,10,15H,3-7,14H2,1-2H3
InChIKeyICYHIYXAYUNPNB-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.16
Rot. Bonds5

About [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine (PubChem CID 105229427) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine
PubChem CID105229427
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)C2CCOC2)c1Br
InChIInChI=1S/C12H21BrN4O/c1-3-9-12(13)11(17(2)16-9)6-10(15-14)8-4-5-18-7-8/h8,10,15H,3-7,14H2,1-2H3
InChIKeyICYHIYXAYUNPNB-UHFFFAOYSA-N
XLogP1.16
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.16
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-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231495
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258943
[1-(oxolan-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105306650
[2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229352
[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
[2-(1-butan-2-ylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229429
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
CID 115810644
[2-(5-ethyl-2-pyridinyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229310
[2-(5-ethylthiophen-2-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229403
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569735
N-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107189387

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine (CID 105229427) is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)C2CCOC2)c1Br.
What is the InChIKey of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine?
The InChIKey is ICYHIYXAYUNPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-3-9-12(13)11(17(2)16-9)6-10(15-14)8-4-5-18-7-8/h8,10,15H,3-7,14H2,1-2H3.
What are the key properties of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine?
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine has a molecular weight of 317.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105229427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).