[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

C15H22N4S — CID 105315787

IUPAC[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESCc1cc(CC(NN)C2CCCc3sccc32)n(C)n1
InChIInChI=1S/C15H22N4S/c1-10-8-11(19(2)18-10)9-14(17-16)12-4-3-5-15-13(12)6-7-20-15/h6-8,12,14,17H,3-5,9,16H2,1-2H3
InChIKeyVTESVYYVIUFBSC-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.28
Rot. Bonds4

About [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (PubChem CID 105315787) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
PubChem CID105315787
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESCc1cc(CC(NN)C2CCCc3sccc32)n(C)n1
InChIInChI=1S/C15H22N4S/c1-10-8-11(19(2)18-10)9-14(17-16)12-4-3-5-15-13(12)6-7-20-15/h6-8,12,14,17H,3-5,9,16H2,1-2H3
InChIKeyVTESVYYVIUFBSC-UHFFFAOYSA-N
XLogP2.28
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.28
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-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105316509
[2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105290006
[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105283115
[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105310301
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 107312849
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105262730
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
CID 105311558
[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105315842
[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
CID 105310870
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105167288
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105114281
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105171873

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (CID 105315787) is [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is Cc1cc(CC(NN)C2CCCc3sccc32)n(C)n1.
What is the InChIKey of [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The InChIKey is VTESVYYVIUFBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10-8-11(19(2)18-10)9-14(17-16)12-4-3-5-15-13(12)6-7-20-15/h6-8,12,14,17H,3-5,9,16H2,1-2H3.
What are the key properties of [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine has a molecular weight of 290.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105315787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).