[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine

C14H15BrN4S — CID 105336177

IUPAC[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1csc2ccccc12
InChIInChI=1S/C14H15BrN4S/c1-2-19-14(11(15)7-17-19)13(18-16)10-8-20-12-6-4-3-5-9(10)12/h3-8,13,18H,2,16H2,1H3
InChIKeyMSFPXYFRBKOFRI-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.43
Rot. Bonds4

About [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine

[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105336177) has the molecular formula C14H15BrN4S and a molecular weight of 351.27 g/mol. Its IUPAC name is [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
PubChem CID105336177
Molecular FormulaC14H15BrN4S
Molecular Weight351.27 g/mol
Exact Mass350.02
IUPAC Name[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1csc2ccccc12
InChIInChI=1S/C14H15BrN4S/c1-2-19-14(11(15)7-17-19)13(18-16)10-8-20-12-6-4-3-5-9(10)12/h3-8,13,18H,2,16H2,1H3
InChIKeyMSFPXYFRBKOFRI-UHFFFAOYSA-N
XLogP3.43
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.43
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-(1-benzothiophen-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041383
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
[1-benzothiophen-3-yl-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337177
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
CID 105336163
[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219437
[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924309
[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307010
[(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257897
[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methyl]hydrazine
CID 105336201
[(4-bromo-1-ethylpyrazol-5-yl)-(5-chlorothiophen-2-yl)methyl]hydrazine
CID 105336143
1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635146
[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105336263

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine (CID 105336177) is [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine is CCn1ncc(Br)c1C(NN)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is MSFPXYFRBKOFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4S/c1-2-19-14(11(15)7-17-19)13(18-16)10-8-20-12-6-4-3-5-9(10)12/h3-8,13,18H,2,16H2,1H3.
What are the key properties of [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine?
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 351.27 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105336177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).