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

C13H23BrN4O — CID 105270399

IUPAC[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)C2(OC)CCC2)c1Br
InChIInChI=1S/C13H23BrN4O/c1-4-9-12(14)10(18(2)17-9)8-11(16-15)13(19-3)6-5-7-13/h11,16H,4-8,15H2,1-3H3
InChIKeyJSGDFZJDHPYKOC-UHFFFAOYSA-N
MW331.26 g/mol
LogP1.69
Rot. Bonds6

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

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine (PubChem CID 105270399) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
PubChem CID105270399
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)C2(OC)CCC2)c1Br
InChIInChI=1S/C13H23BrN4O/c1-4-9-12(14)10(18(2)17-9)8-11(16-15)13(19-3)6-5-7-13/h11,16H,4-8,15H2,1-3H3
InChIKeyJSGDFZJDHPYKOC-UHFFFAOYSA-N
XLogP1.69
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.69
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-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276077
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754378
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106830227
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 114119382
[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-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253505
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231495
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616432
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451661
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine (CID 105270399) is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)C2(OC)CCC2)c1Br.
What is the InChIKey of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine?
The InChIKey is JSGDFZJDHPYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-4-9-12(14)10(18(2)17-9)8-11(16-15)13(19-3)6-5-7-13/h11,16H,4-8,15H2,1-3H3.
What are the key properties of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine?
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine has a molecular weight of 331.26 g/mol, XLogP of 1.69, 6 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-(1-methoxycyclobutyl)ethyl]hydrazine is sourced from PubChem (CID 105270399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).