[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine

C13H16BrIN4 — CID 105317823

IUPAC[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2ccccc2I)c1Br
InChIInChI=1S/C13H16BrIN4/c1-8-13(14)12(19(2)18-8)7-11(17-16)9-5-3-4-6-10(9)15/h3-6,11,17H,7,16H2,1-2H3
InChIKeyGRKHOFCTVLXFLL-UHFFFAOYSA-N
MW435.11 g/mol
LogP2.84
Rot. Bonds4

About [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine

[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine (PubChem CID 105317823) has the molecular formula C13H16BrIN4 and a molecular weight of 435.11 g/mol. Its IUPAC name is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
PubChem CID105317823
Molecular FormulaC13H16BrIN4
Molecular Weight435.11 g/mol
Exact Mass433.96
IUPAC Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2ccccc2I)c1Br
InChIInChI=1S/C13H16BrIN4/c1-8-13(14)12(19(2)18-8)7-11(17-16)9-5-3-4-6-10(9)15/h3-6,11,17H,7,16H2,1-2H3
InChIKeyGRKHOFCTVLXFLL-UHFFFAOYSA-N
XLogP2.84
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.11
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethyl]hydrazine
CID 107103733
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105317811
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196448
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 104996562
2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222450
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317110
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129772
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105317885

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine (CID 105317823) is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine is Cc1nn(C)c(CC(NN)c2ccccc2I)c1Br.
What is the InChIKey of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine?
The InChIKey is GRKHOFCTVLXFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrIN4/c1-8-13(14)12(19(2)18-8)7-11(17-16)9-5-3-4-6-10(9)15/h3-6,11,17H,7,16H2,1-2H3.
What are the key properties of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine?
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine has a molecular weight of 435.11 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 105317823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).