[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine

C11H13Cl3N4S — CID 107970575

IUPAC[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(NN)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl3N4S/c1-5-6(10(13)18(2)17-5)3-8(16-15)7-4-9(12)19-11(7)14/h4,8,16H,3,15H2,1-2H3
InChIKeyZLZRQORWOWZZJT-UHFFFAOYSA-N
MW339.68 g/mol
LogP3.50
Rot. Bonds4

About [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine

[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine (PubChem CID 107970575) has the molecular formula C11H13Cl3N4S and a molecular weight of 339.68 g/mol. Its IUPAC name is [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
PubChem CID107970575
Molecular FormulaC11H13Cl3N4S
Molecular Weight339.68 g/mol
Exact Mass337.99
IUPAC Name[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(NN)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl3N4S/c1-5-6(10(13)18(2)17-5)3-8(16-15)7-4-9(12)19-11(7)14/h4,8,16H,3,15H2,1-2H3
InChIKeyZLZRQORWOWZZJT-UHFFFAOYSA-N
XLogP3.50
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.68
LogP ≤ 53.50
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-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]hydrazine
CID 105334091
[1-(2,5-dichlorothiophen-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107970503
[1-(2,5-dichlorothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107970143
[1-(2,5-dichlorothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107970457
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228861
[2-(2,6-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970147
[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 107948485
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258240
[1-(4-bromo-3-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 105334045
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105334017
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105334082
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
CID 105333997

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine (CID 107970575) is [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine is Cc1nn(C)c(Cl)c1CC(NN)c1cc(Cl)sc1Cl.
What is the InChIKey of [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The InChIKey is ZLZRQORWOWZZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N4S/c1-5-6(10(13)18(2)17-5)3-8(16-15)7-4-9(12)19-11(7)14/h4,8,16H,3,15H2,1-2H3.
What are the key properties of [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine has a molecular weight of 339.68 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 107970575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).