[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine

C12H17BrN4S — CID 105211988

IUPAC[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
SMILESCCCn1ncc(Br)c1C(Cc1cccs1)NN
InChIInChI=1S/C12H17BrN4S/c1-2-5-17-12(10(13)8-15-17)11(16-14)7-9-4-3-6-18-9/h3-4,6,8,11,16H,2,5,7,14H2,1H3
InChIKeyJFYKGOLPVYATQD-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.86
Rot. Bonds6

About [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine

[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine (PubChem CID 105211988) has the molecular formula C12H17BrN4S and a molecular weight of 329.27 g/mol. Its IUPAC name is [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
PubChem CID105211988
Molecular FormulaC12H17BrN4S
Molecular Weight329.27 g/mol
Exact Mass328.04
IUPAC Name[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
SMILESCCCn1ncc(Br)c1C(Cc1cccs1)NN
InChIInChI=1S/C12H17BrN4S/c1-2-5-17-12(10(13)8-15-17)11(16-14)7-9-4-3-6-18-9/h3-4,6,8,11,16H,2,5,7,14H2,1H3
InChIKeyJFYKGOLPVYATQD-UHFFFAOYSA-N
XLogP2.86
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.86
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

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649430
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine
CID 105336611
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205100
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 114649449
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105336566
[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226609
[1-(4-bromo-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105336676
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649429
[1-(2-propyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211942
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336660

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine (CID 105211988) is [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine is CCCn1ncc(Br)c1C(Cc1cccs1)NN.
What is the InChIKey of [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine?
The InChIKey is JFYKGOLPVYATQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S/c1-2-5-17-12(10(13)8-15-17)11(16-14)7-9-4-3-6-18-9/h3-4,6,8,11,16H,2,5,7,14H2,1H3.
What are the key properties of [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine?
[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine has a molecular weight of 329.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine is sourced from PubChem (CID 105211988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).