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

C12H21BrN4O2S — CID 105258943

IUPAC[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)C2CCS(=O)(=O)C2)c1Br
InChIInChI=1S/C12H21BrN4O2S/c1-3-9-12(13)11(17(2)16-9)6-10(15-14)8-4-5-20(18,19)7-8/h8,10,15H,3-7,14H2,1-2H3
InChIKeyMKQIAGAKGZLFAG-UHFFFAOYSA-N
MW365.30 g/mol
LogP0.55
Rot. Bonds5

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

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (PubChem CID 105258943) has the molecular formula C12H21BrN4O2S and a molecular weight of 365.30 g/mol. Its IUPAC name is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
PubChem CID105258943
Molecular FormulaC12H21BrN4O2S
Molecular Weight365.30 g/mol
Exact Mass364.06
IUPAC Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)C2CCS(=O)(=O)C2)c1Br
InChIInChI=1S/C12H21BrN4O2S/c1-3-9-12(13)11(17(2)16-9)6-10(15-14)8-4-5-20(18,19)7-8/h8,10,15H,3-7,14H2,1-2H3
InChIKeyMKQIAGAKGZLFAG-UHFFFAOYSA-N
XLogP0.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 50.55
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

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[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
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[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpentan-2-yl]hydrazine
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4-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885984
[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine
CID 105258751
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
CID 115810644
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979192
[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258836
[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105258767
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (CID 105258943) is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)C2CCS(=O)(=O)C2)c1Br.
What is the InChIKey of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The InChIKey is MKQIAGAKGZLFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O2S/c1-3-9-12(13)11(17(2)16-9)6-10(15-14)8-4-5-20(18,19)7-8/h8,10,15H,3-7,14H2,1-2H3.
What are the key properties of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine has a molecular weight of 365.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105258943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).