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

C15H27BrN4O — CID 105275656

IUPAC[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
SMILESCCOC1(C(Cc2c(Br)c(C)nn2CC)NN)CCCC1
InChIInChI=1S/C15H27BrN4O/c1-4-20-12(14(16)11(3)19-20)10-13(18-17)15(21-5-2)8-6-7-9-15/h13,18H,4-10,17H2,1-3H3
InChIKeyOPHZVTMPTDCTBD-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.70
Rot. Bonds7

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

[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine (PubChem CID 105275656) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
PubChem CID105275656
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
SMILESCCOC1(C(Cc2c(Br)c(C)nn2CC)NN)CCCC1
InChIInChI=1S/C15H27BrN4O/c1-4-20-12(14(16)11(3)19-20)10-13(18-17)15(21-5-2)8-6-7-9-15/h13,18H,4-10,17H2,1-3H3
InChIKeyOPHZVTMPTDCTBD-UHFFFAOYSA-N
XLogP2.70
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.70
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-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 104998298
[1-(1-ethoxycyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105276351
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761546
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206281
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753161
1-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451929
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756067
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105316689
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253505
[(4-bromo-1-ethylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276358
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105159661
[2-(3,5-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276272

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine (CID 105275656) is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine is CCOC1(C(Cc2c(Br)c(C)nn2CC)NN)CCCC1.
What is the InChIKey of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine?
The InChIKey is OPHZVTMPTDCTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-4-20-12(14(16)11(3)19-20)10-13(18-17)15(21-5-2)8-6-7-9-15/h13,18H,4-10,17H2,1-3H3.
What are the key properties of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine?
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine has a molecular weight of 359.31 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine is sourced from PubChem (CID 105275656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).