[2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine

C12H17BrN4S — CID 105299342

IUPAC[2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCCn1nc(C)cc1C(Cc1cc(Br)cs1)NN
InChIInChI=1S/C12H17BrN4S/c1-3-17-12(4-8(2)16-17)11(15-14)6-10-5-9(13)7-18-10/h4-5,7,11,15H,3,6,14H2,1-2H3
InChIKeyLUGKSXRYNZIVQE-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.78
Rot. Bonds5

About [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine

[2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105299342) has the molecular formula C12H17BrN4S and a molecular weight of 329.27 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105299342
Molecular FormulaC12H17BrN4S
Molecular Weight329.27 g/mol
Exact Mass328.04
IUPAC Name[2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCCn1nc(C)cc1C(Cc1cc(Br)cs1)NN
InChIInChI=1S/C12H17BrN4S/c1-3-17-12(4-8(2)16-17)11(15-14)6-10-5-9(13)7-18-10/h4-5,7,11,15H,3,6,14H2,1-2H3
InChIKeyLUGKSXRYNZIVQE-UHFFFAOYSA-N
XLogP2.78
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.78
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-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297803
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105316719
[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291184
[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312757
[2-(4-bromothiophen-2-yl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261639
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
[2-(4-bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105299200
1-(2-ethyl-5-methylpyrazol-3-yl)hex-4-ynylhydrazine
CID 105335035
[2-(4-bromothiophen-2-yl)-1-(3-ethylthiophen-2-yl)ethyl]hydrazine
CID 105299228
[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105299375
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine
CID 105333462
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105319051

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine (CID 105299342) is [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine is CCn1nc(C)cc1C(Cc1cc(Br)cs1)NN.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is LUGKSXRYNZIVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S/c1-3-17-12(4-8(2)16-17)11(15-14)6-10-5-9(13)7-18-10/h4-5,7,11,15H,3,6,14H2,1-2H3.
What are the key properties of [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine?
[2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 329.27 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105299342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).