[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine

C10H19BrN4O2S — CID 105336270

IUPAC[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H19BrN4O2S/c1-5-15-8(7(11)6-13-15)9(14-12)10(2,3)18(4,16)17/h6,9,14H,5,12H2,1-4H3
InChIKeyTXRZOFKHWSKCDP-UHFFFAOYSA-N
MW339.26 g/mol
LogP0.99
Rot. Bonds5

About [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine

[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine (PubChem CID 105336270) has the molecular formula C10H19BrN4O2S and a molecular weight of 339.26 g/mol. Its IUPAC name is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine
PubChem CID105336270
Molecular FormulaC10H19BrN4O2S
Molecular Weight339.26 g/mol
Exact Mass338.04
IUPAC Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H19BrN4O2S/c1-5-15-8(7(11)6-13-15)9(14-12)10(2,3)18(4,16)17/h6,9,14H,5,12H2,1-4H3
InChIKeyTXRZOFKHWSKCDP-UHFFFAOYSA-N
XLogP0.99
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 50.99
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

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
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[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
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[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
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[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924309
[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226609
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylsulfonylethyl]hydrazine
CID 105336459
1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 114656870
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105040348
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxybutyl]hydrazine
CID 105271124
[1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine (CID 105336270) is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine is CCn1ncc(Br)c1C(NN)C(C)(C)S(C)(=O)=O.
What is the InChIKey of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The InChIKey is TXRZOFKHWSKCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O2S/c1-5-15-8(7(11)6-13-15)9(14-12)10(2,3)18(4,16)17/h6,9,14H,5,12H2,1-4H3.
What are the key properties of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine has a molecular weight of 339.26 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 105336270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).