[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine

C14H18N4S — CID 112742896

IUPAC[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine
SMILESCc1cnn(C)c1C(NN)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N4S/c1-9-8-16-18(2)14(9)13(17-15)12-7-10-5-3-4-6-11(10)19-12/h3-6,8,12-13,17H,7,15H2,1-2H3
InChIKeyLYAJYGIRFGLEAM-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.95
Rot. Bonds3

About [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine

[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine (PubChem CID 112742896) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine
PubChem CID112742896
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine
SMILESCc1cnn(C)c1C(NN)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N4S/c1-9-8-16-18(2)14(9)13(17-15)12-7-10-5-3-4-6-11(10)19-12/h3-6,8,12-13,17H,7,15H2,1-2H3
InChIKeyLYAJYGIRFGLEAM-UHFFFAOYSA-N
XLogP1.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.95
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

[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339391
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105287045
[2,3-dihydro-1-benzothiophen-2-yl-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332622
[2,3-dihydro-1H-inden-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105234228
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 105149675
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097285
[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 106650324
[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105314735
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 105094696
[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328374
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine (CID 112742896) is [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine is Cc1cnn(C)c1C(NN)C1Cc2ccccc2S1.
What is the InChIKey of [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is LYAJYGIRFGLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-8-16-18(2)14(9)13(17-15)12-7-10-5-3-4-6-11(10)19-12/h3-6,8,12-13,17H,7,15H2,1-2H3.
What are the key properties of [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine?
[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 274.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 112742896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).