[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine

C11H13Br2ClN4OS — CID 105342423

IUPAC[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H13Br2ClN4OS/c1-19-3-2-18-10(7(14)5-16-18)9(17-15)8-4-6(12)11(13)20-8/h4-5,9,17H,2-3,15H2,1H3
InChIKeyQLLLLTBBYHYEOX-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.32
Rot. Bonds6

About [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine

[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine (PubChem CID 105342423) has the molecular formula C11H13Br2ClN4OS and a molecular weight of 444.58 g/mol. Its IUPAC name is [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine
PubChem CID105342423
Molecular FormulaC11H13Br2ClN4OS
Molecular Weight444.58 g/mol
Exact Mass441.89
IUPAC Name[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H13Br2ClN4OS/c1-19-3-2-18-10(7(14)5-16-18)9(17-15)8-4-6(12)11(13)20-8/h4-5,9,17H,2-3,15H2,1H3
InChIKeyQLLLLTBBYHYEOX-UHFFFAOYSA-N
XLogP3.32
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.32
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

[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105338959
[(2-bromo-4-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105342355
4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105263440
[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105280354
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105342343
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylfuran-3-yl)methyl]hydrazine
CID 105342375
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methanol
CID 115835804
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
CID 105337278
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methyl]hydrazine
CID 105337323
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215480
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381

Frequently Asked Questions

What is the IUPAC name of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine (CID 105342423) is [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine is COCCn1ncc(Cl)c1C(NN)c1cc(Br)c(Br)s1.
What is the InChIKey of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The InChIKey is QLLLLTBBYHYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2ClN4OS/c1-19-3-2-18-10(7(14)5-16-18)9(17-15)8-4-6(12)11(13)20-8/h4-5,9,17H,2-3,15H2,1H3.
What are the key properties of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine has a molecular weight of 444.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105342423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).