[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine

C12H23BrN4O — CID 105207669

IUPAC[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(CCC(C)C)NN
InChIInChI=1S/C12H23BrN4O/c1-9(2)4-5-11(16-14)12-10(13)8-15-17(12)6-7-18-3/h8-9,11,16H,4-7,14H2,1-3H3
InChIKeyXQMNVHKASHFVSK-UHFFFAOYSA-N
MW319.25 g/mol
LogP2.23
Rot. Bonds8

About [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine

[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine (PubChem CID 105207669) has the molecular formula C12H23BrN4O and a molecular weight of 319.25 g/mol. Its IUPAC name is [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
PubChem CID105207669
Molecular FormulaC12H23BrN4O
Molecular Weight319.25 g/mol
Exact Mass318.11
IUPAC Name[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(CCC(C)C)NN
InChIInChI=1S/C12H23BrN4O/c1-9(2)4-5-11(16-14)12-10(13)8-15-17(12)6-7-18-3/h8-9,11,16H,4-7,14H2,1-3H3
InChIKeyXQMNVHKASHFVSK-UHFFFAOYSA-N
XLogP2.23
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 52.23
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

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethyl]hydrazine
CID 105254185
[1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypropyl]hydrazine
CID 105222964
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
CID 114666706
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-methylsulfanylethanamine
CID 114649769
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-3-methylpentan-1-amine
CID 105042954
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylcyclohexyl)methanamine
CID 114655524
1-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242499

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine?
The IUPAC name of [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine (CID 105207669) is [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine.
What is the SMILES notation for [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine?
The canonical SMILES for [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine is COCCn1ncc(Br)c1C(CCC(C)C)NN.
What is the InChIKey of [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine?
The InChIKey is XQMNVHKASHFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4O/c1-9(2)4-5-11(16-14)12-10(13)8-15-17(12)6-7-18-3/h8-9,11,16H,4-7,14H2,1-3H3.
What are the key properties of [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine?
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine has a molecular weight of 319.25 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine is sourced from PubChem (CID 105207669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).