[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine

C14H25BrN4S2 — CID 103347216

IUPAC[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C14H25BrN4S2/c1-5-19-12(14(15)8(2)18-19)6-11(17-16)13-7-20-9(3)10(4)21-13/h9-11,13,17H,5-7,16H2,1-4H3
InChIKeyVLAKXTFNABIXKG-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.97
Rot. Bonds5

About [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine

[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 103347216) has the molecular formula C14H25BrN4S2 and a molecular weight of 393.42 g/mol. Its IUPAC name is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID103347216
Molecular FormulaC14H25BrN4S2
Molecular Weight393.42 g/mol
Exact Mass392.07
IUPAC Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C14H25BrN4S2/c1-5-19-12(14(15)8(2)18-19)6-11(17-16)13-7-20-9(3)10(4)21-13/h9-11,13,17H,5-7,16H2,1-4H3
InChIKeyVLAKXTFNABIXKG-UHFFFAOYSA-N
XLogP2.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
CID 103345125
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[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
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2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386676
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[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105316689
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
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N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107189541
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
CID 107979209
4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105159754
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228327

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 103347216) is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine is CCn1nc(C)c(Br)c1CC(NN)C1CSC(C)C(C)S1.
What is the InChIKey of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is VLAKXTFNABIXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4S2/c1-5-19-12(14(15)8(2)18-19)6-11(17-16)13-7-20-9(3)10(4)21-13/h9-11,13,17H,5-7,16H2,1-4H3.
What are the key properties of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 393.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 103347216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).