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

C15H20N4OS — CID 105339391

IUPAC[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)C1Cc2ccccc2S1
InChIInChI=1S/C15H20N4OS/c1-3-19-15(11(20-2)9-17-19)14(18-16)13-8-10-6-4-5-7-12(10)21-13/h4-7,9,13-14,18H,3,8,16H2,1-2H3
InChIKeyOOECCRSHVIUDBE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.13
Rot. Bonds5

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

[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (PubChem CID 105339391) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
PubChem CID105339391
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)C1Cc2ccccc2S1
InChIInChI=1S/C15H20N4OS/c1-3-19-15(11(20-2)9-17-19)14(18-16)13-8-10-6-4-5-7-12(10)21-13/h4-7,9,13-14,18H,3,8,16H2,1-2H3
InChIKeyOOECCRSHVIUDBE-UHFFFAOYSA-N
XLogP2.13
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105234135
[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine
CID 112742896
[(3-ethylcyclopentyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105233464
[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
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 114655860
2,3-dihydro-1-benzothiophen-2-yl-(3-ethyltriazol-4-yl)methanamine
CID 114213470
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616
[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105287045
[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxybutyl]hydrazine
CID 105270630
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (CID 105339391) is [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is CCn1ncc(OC)c1C(NN)C1Cc2ccccc2S1.
What is the InChIKey of [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The InChIKey is OOECCRSHVIUDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-19-15(11(20-2)9-17-19)14(18-16)13-8-10-6-4-5-7-12(10)21-13/h4-7,9,13-14,18H,3,8,16H2,1-2H3.
What are the key properties of [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine has a molecular weight of 304.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105339391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).