[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine

C13H19ClN4S — CID 105312536

IUPAC[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2sccc2Cl)n1
InChIInChI=1S/C13H19ClN4S/c1-3-9(2)18-6-4-10(17-18)8-12(16-15)13-11(14)5-7-19-13/h4-7,9,12,16H,3,8,15H2,1-2H3
InChIKeyUPVLMQBQYLDTMW-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.32
Rot. Bonds6

About [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine

[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine (PubChem CID 105312536) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
PubChem CID105312536
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2sccc2Cl)n1
InChIInChI=1S/C13H19ClN4S/c1-3-9(2)18-6-4-10(17-18)8-12(16-15)13-11(14)5-7-19-13/h4-7,9,12,16H,3,8,15H2,1-2H3
InChIKeyUPVLMQBQYLDTMW-UHFFFAOYSA-N
XLogP3.32
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.32
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-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105312638
1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991694
[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312620
[1-(3-ethylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105313402
[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312538
[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105312611
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115806434
[1-(3-chlorothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105328693
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
CID 102813123
[2-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105329598
[1-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312551

Frequently Asked Questions

What is the IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine (CID 105312536) is [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine is CCC(C)n1ccc(CC(NN)c2sccc2Cl)n1.
What is the InChIKey of [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine?
The InChIKey is UPVLMQBQYLDTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S/c1-3-9(2)18-6-4-10(17-18)8-12(16-15)13-11(14)5-7-19-13/h4-7,9,12,16H,3,8,15H2,1-2H3.
What are the key properties of [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine?
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine has a molecular weight of 298.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105312536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).