[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine

C13H17BrN4S — CID 105238409

IUPAC[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
SMILESCCn1nccc1C(CSc1cccc(Br)c1)NN
InChIInChI=1S/C13H17BrN4S/c1-2-18-13(6-7-16-18)12(17-15)9-19-11-5-3-4-10(14)8-11/h3-8,12,17H,2,9,15H2,1H3
InChIKeyMFKTWHOQISQUHL-UHFFFAOYSA-N
MW341.28 g/mol
LogP2.96
Rot. Bonds6

About [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine

[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105238409) has the molecular formula C13H17BrN4S and a molecular weight of 341.28 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105238409
Molecular FormulaC13H17BrN4S
Molecular Weight341.28 g/mol
Exact Mass340.04
IUPAC Name[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
SMILESCCn1nccc1C(CSc1cccc(Br)c1)NN
InChIInChI=1S/C13H17BrN4S/c1-2-18-13(6-7-16-18)12(17-15)9-19-11-5-3-4-10(14)8-11/h3-8,12,17H,2,9,15H2,1H3
InChIKeyMFKTWHOQISQUHL-UHFFFAOYSA-N
XLogP2.96
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 52.96
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

2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66159604
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071865
[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105238462
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430
[2-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105202686
[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 114213638
[1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropyl]hydrazine
CID 105307223
[2-cyclohexylsulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105227851
N-[2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 66161600
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105238376
[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 105397876

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine (CID 105238409) is [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine is CCn1nccc1C(CSc1cccc(Br)c1)NN.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is MFKTWHOQISQUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4S/c1-2-18-13(6-7-16-18)12(17-15)9-19-11-5-3-4-10(14)8-11/h3-8,12,17H,2,9,15H2,1H3.
What are the key properties of [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine?
[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 341.28 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105238409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).