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

C13H25BrN4O — CID 103025362

IUPAC[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCCc1nn(C)c(CC(CC(C)(C)OC)NN)c1Br
InChIInChI=1S/C13H25BrN4O/c1-6-10-12(14)11(18(4)17-10)7-9(16-15)8-13(2,3)19-5/h9,16H,6-8,15H2,1-5H3
InChIKeyXDWVJVLCIMDDOW-UHFFFAOYSA-N
MW333.27 g/mol
LogP1.93
Rot. Bonds7

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

[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine (PubChem CID 103025362) has the molecular formula C13H25BrN4O and a molecular weight of 333.27 g/mol. Its IUPAC name is [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
PubChem CID103025362
Molecular FormulaC13H25BrN4O
Molecular Weight333.27 g/mol
Exact Mass332.12
IUPAC Name[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCCc1nn(C)c(CC(CC(C)(C)OC)NN)c1Br
InChIInChI=1S/C13H25BrN4O/c1-6-10-12(14)11(18(4)17-10)7-9(16-15)8-13(2,3)19-5/h9,16H,6-8,15H2,1-5H3
InChIKeyXDWVJVLCIMDDOW-UHFFFAOYSA-N
XLogP1.93
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine (CID 103025362) is [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine is CCc1nn(C)c(CC(CC(C)(C)OC)NN)c1Br.
What is the InChIKey of [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The InChIKey is XDWVJVLCIMDDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN4O/c1-6-10-12(14)11(18(4)17-10)7-9(16-15)8-13(2,3)19-5/h9,16H,6-8,15H2,1-5H3.
What are the key properties of [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine has a molecular weight of 333.27 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 103025362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).