[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine

C12H23BrN4S — CID 105226609

IUPAC[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine
SMILESCCCn1ncc(Br)c1C(CSC(C)(C)C)NN
InChIInChI=1S/C12H23BrN4S/c1-5-6-17-11(9(13)7-15-17)10(16-14)8-18-12(2,3)4/h7,10,16H,5-6,8,14H2,1-4H3
InChIKeyUINPSAAKJAQEAH-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.09
Rot. Bonds6

About [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine

[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine (PubChem CID 105226609) has the molecular formula C12H23BrN4S and a molecular weight of 335.32 g/mol. Its IUPAC name is [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine
PubChem CID105226609
Molecular FormulaC12H23BrN4S
Molecular Weight335.32 g/mol
Exact Mass334.08
IUPAC Name[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine
SMILESCCCn1ncc(Br)c1C(CSC(C)(C)C)NN
InChIInChI=1S/C12H23BrN4S/c1-5-6-17-11(9(13)7-15-17)10(16-14)8-18-12(2,3)4/h7,10,16H,5-6,8,14H2,1-4H3
InChIKeyUINPSAAKJAQEAH-UHFFFAOYSA-N
XLogP3.09
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.09
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-bromo-5-(2-tert-butylsulfanyl-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105226390
1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanyl-N-ethylethanamine
CID 114653804
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105336566
[1-(4-bromo-1-propylpyrazol-5-yl)-3-cyclohexylpropyl]hydrazine
CID 105336636
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105336590
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211988
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethyl-2-methoxybutan-1-ol
CID 114645774
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653524
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205100
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine
CID 105336611

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine (CID 105226609) is [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine is CCCn1ncc(Br)c1C(CSC(C)(C)C)NN.
What is the InChIKey of [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine?
The InChIKey is UINPSAAKJAQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4S/c1-5-6-17-11(9(13)7-15-17)10(16-14)8-18-12(2,3)4/h7,10,16H,5-6,8,14H2,1-4H3.
What are the key properties of [1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine?
[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine has a molecular weight of 335.32 g/mol, XLogP of 3.09, 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-tert-butylsulfanylethyl]hydrazine is sourced from PubChem (CID 105226609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).