[1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine

C15H17FN4S — CID 103025985

IUPAC[1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H17FN4S/c1-20-12(6-7-18-20)3-4-13(19-17)15-9-10-8-11(16)2-5-14(10)21-15/h2,5-9,13,19H,3-4,17H2,1H3
InChIKeyKGJYDXJHMDTEQH-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.91
Rot. Bonds5

About [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine

[1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine (PubChem CID 103025985) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
PubChem CID103025985
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC Name[1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H17FN4S/c1-20-12(6-7-18-20)3-4-13(19-17)15-9-10-8-11(16)2-5-14(10)21-15/h2,5-9,13,19H,3-4,17H2,1H3
InChIKeyKGJYDXJHMDTEQH-UHFFFAOYSA-N
XLogP2.91
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The IUPAC name of [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine (CID 103025985) is [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine is Cn1nccc1CCC(NN)c1cc2cc(F)ccc2s1.
What is the InChIKey of [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The InChIKey is KGJYDXJHMDTEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c1-20-12(6-7-18-20)3-4-13(19-17)15-9-10-8-11(16)2-5-14(10)21-15/h2,5-9,13,19H,3-4,17H2,1H3.
What are the key properties of [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
[1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine has a molecular weight of 304.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine is sourced from PubChem (CID 103025985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).