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

C11H14BrClN4S — CID 105316016

IUPAC[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2sccc2Br)c1Cl
InChIInChI=1S/C11H14BrClN4S/c1-6-10(13)9(17(2)16-6)5-8(15-14)11-7(12)3-4-18-11/h3-4,8,15H,5,14H2,1-2H3
InChIKeyOJJXAPISTSMHPP-UHFFFAOYSA-N
MW349.69 g/mol
LogP2.95
Rot. Bonds4

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

[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105316016) has the molecular formula C11H14BrClN4S and a molecular weight of 349.69 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105316016
Molecular FormulaC11H14BrClN4S
Molecular Weight349.69 g/mol
Exact Mass347.98
IUPAC Name[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2sccc2Br)c1Cl
InChIInChI=1S/C11H14BrClN4S/c1-6-10(13)9(17(2)16-6)5-8(15-14)11-7(12)3-4-18-11/h3-4,8,15H,5,14H2,1-2H3
InChIKeyOJJXAPISTSMHPP-UHFFFAOYSA-N
XLogP2.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.69
LogP ≤ 52.95
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-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105316064
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105316041
[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-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105316072
[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-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105315999
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105201657
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104996756
[1-(3-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105322494
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 [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine (CID 105316016) is [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine is Cc1nn(C)c(CC(NN)c2sccc2Br)c1Cl.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is OJJXAPISTSMHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4S/c1-6-10(13)9(17(2)16-6)5-8(15-14)11-7(12)3-4-18-11/h3-4,8,15H,5,14H2,1-2H3.
What are the key properties of [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine?
[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 349.69 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105316016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).