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

C12H17BrN4S — CID 105315837

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
SMILESCc1cc(CC(NN)c2cc(C)c(Br)s2)n(C)n1
InChIInChI=1S/C12H17BrN4S/c1-7-4-11(18-12(7)13)10(15-14)6-9-5-8(2)16-17(9)3/h4-5,10,15H,6,14H2,1-3H3
InChIKeyLKFKCGYHXUREEH-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.61
Rot. Bonds4

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

[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105315837) has the molecular formula C12H17BrN4S and a molecular weight of 329.27 g/mol. Its IUPAC name is [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105315837
Molecular FormulaC12H17BrN4S
Molecular Weight329.27 g/mol
Exact Mass328.04
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
SMILESCc1cc(CC(NN)c2cc(C)c(Br)s2)n(C)n1
InChIInChI=1S/C12H17BrN4S/c1-7-4-11(18-12(7)13)10(15-14)6-9-5-8(2)16-17(9)3/h4-5,10,15H,6,14H2,1-3H3
InChIKeyLKFKCGYHXUREEH-UHFFFAOYSA-N
XLogP2.61
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.61
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-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996013
[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105315842
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002532
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323417
[2-(2,5-dimethylpyrazol-3-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196843
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321894
[2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105315724
[2-(2,5-dimethylpyrazol-3-yl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105211624
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321073
[1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315855
4-[2-(2,5-dimethylpyrazol-3-yl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105315713

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine (CID 105315837) is [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine is Cc1cc(CC(NN)c2cc(C)c(Br)s2)n(C)n1.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is LKFKCGYHXUREEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S/c1-7-4-11(18-12(7)13)10(15-14)6-9-5-8(2)16-17(9)3/h4-5,10,15H,6,14H2,1-3H3.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine?
[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 329.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105315837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).