[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine

C14H15FN4S — CID 105289843

IUPAC[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C14H15FN4S/c1-2-19-8-10(7-17-19)14(18-16)13-6-9-5-11(15)3-4-12(9)20-13/h3-8,14,18H,2,16H2,1H3
InChIKeyLRXXYOIIXKNSBC-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.81
Rot. Bonds4

About [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine

[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 105289843) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID105289843
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC Name[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCCn1cc(C(NN)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C14H15FN4S/c1-2-19-8-10(7-17-19)14(18-16)13-6-9-5-11(15)3-4-12(9)20-13/h3-8,14,18H,2,16H2,1H3
InChIKeyLRXXYOIIXKNSBC-UHFFFAOYSA-N
XLogP2.81
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.81
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-ethylpyrazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105289938
N-[(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 105104722
[(1-ethylpyrazol-4-yl)-(5-ethylthiophen-2-yl)methyl]hydrazine
CID 105289750
[(1-ethylpyrazol-4-yl)-(5-fluoro-2-pyridinyl)methyl]hydrazine
CID 105248339
[(5-fluoro-1-benzothiophen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284893
[(4-bromothiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105222445
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
[(1-ethylpyrazol-4-yl)-(4-methylphenyl)methyl]hydrazine
CID 105194304
[3-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)heptyl]hydrazine
CID 105288337
[(1-ethylpyrazol-4-yl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228657
[(3,4-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289747
[(3,5-dichlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289840

Frequently Asked Questions

What is the IUPAC name of [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine (CID 105289843) is [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine is CCn1cc(C(NN)c2cc3cc(F)ccc3s2)cn1.
What is the InChIKey of [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is LRXXYOIIXKNSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c1-2-19-8-10(7-17-19)14(18-16)13-6-9-5-11(15)3-4-12(9)20-13/h3-8,14,18H,2,16H2,1H3.
What are the key properties of [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine?
[(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 290.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105289843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).