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

C13H25BrN4O — CID 103025372

IUPAC[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(CC(C)(C)OC)NN
InChIInChI=1S/C13H25BrN4O/c1-6-18-11(12(14)9(2)17-18)7-10(16-15)8-13(3,4)19-5/h10,16H,6-8,15H2,1-5H3
InChIKeyCXKRBSNEZNJCDF-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.16
Rot. Bonds7

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

[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine (PubChem CID 103025372) has the molecular formula C13H25BrN4O and a molecular weight of 333.27 g/mol. Its IUPAC name is [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
PubChem CID103025372
Molecular FormulaC13H25BrN4O
Molecular Weight333.27 g/mol
Exact Mass332.12
IUPAC Name[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(CC(C)(C)OC)NN
InChIInChI=1S/C13H25BrN4O/c1-6-18-11(12(14)9(2)17-18)7-10(16-15)8-13(3,4)19-5/h10,16H,6-8,15H2,1-5H3
InChIKeyCXKRBSNEZNJCDF-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine (CID 103025372) is [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine is CCn1nc(C)c(Br)c1CC(CC(C)(C)OC)NN.
What is the InChIKey of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The InChIKey is CXKRBSNEZNJCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN4O/c1-6-18-11(12(14)9(2)17-18)7-10(16-15)8-13(3,4)19-5/h10,16H,6-8,15H2,1-5H3.
What are the key properties of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine has a molecular weight of 333.27 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 103025372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).