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

C11H14ClIN4S — CID 105316041

IUPAC[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2csc(I)c2)c1Cl
InChIInChI=1S/C11H14ClIN4S/c1-6-11(12)9(17(2)16-6)4-8(15-14)7-3-10(13)18-5-7/h3,5,8,15H,4,14H2,1-2H3
InChIKeyAEQAKUSSLQNZPK-UHFFFAOYSA-N
MW396.69 g/mol
LogP2.80
Rot. Bonds4

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

[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine (PubChem CID 105316041) has the molecular formula C11H14ClIN4S and a molecular weight of 396.69 g/mol. Its IUPAC name is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
PubChem CID105316041
Molecular FormulaC11H14ClIN4S
Molecular Weight396.69 g/mol
Exact Mass395.97
IUPAC Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2csc(I)c2)c1Cl
InChIInChI=1S/C11H14ClIN4S/c1-6-11(12)9(17(2)16-6)4-8(15-14)7-3-10(13)18-5-7/h3,5,8,15H,4,14H2,1-2H3
InChIKeyAEQAKUSSLQNZPK-UHFFFAOYSA-N
XLogP2.80
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.69
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105315999
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208217
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 105315986
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105201657
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 105000414
[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 105316016
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105316072
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105319051
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105316064
[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066621
4-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231314

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine (CID 105316041) is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine is Cc1nn(C)c(CC(NN)c2csc(I)c2)c1Cl.
What is the InChIKey of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The InChIKey is AEQAKUSSLQNZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN4S/c1-6-11(12)9(17(2)16-6)4-8(15-14)7-3-10(13)18-5-7/h3,5,8,15H,4,14H2,1-2H3.
What are the key properties of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine has a molecular weight of 396.69 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105316041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).