1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole

C16H20N2S — CID 82693864

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(CC2CSc3ccccc32)n1
InChIInChI=1S/C16H20N2S/c1-3-13-9-14(4-2)18(17-13)10-12-11-19-16-8-6-5-7-15(12)16/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyRBBROHNVOXHBNC-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.90
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole (PubChem CID 82693864) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole
PubChem CID82693864
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(CC2CSc3ccccc32)n1
InChIInChI=1S/C16H20N2S/c1-3-13-9-14(4-2)18(17-13)10-12-11-19-16-8-6-5-7-15(12)16/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyRBBROHNVOXHBNC-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethyl-1,2,4-triazole
CID 79349032
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazol-4-yl]methanamine
CID 82699746
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole
CID 79343416
5-bromo-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,2,4-triazol-3-amine
CID 103098627
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,5-diethylpyrazole
CID 82699233
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine
CID 79315327
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79215045
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine
CID 79319858
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,4-diazepane
CID 80666638
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-N,N-diethylethanamine
CID 79326328
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine
CID 79314899

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole (CID 82693864) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole is CCc1cc(CC)n(CC2CSc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole?
The InChIKey is RBBROHNVOXHBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-13-9-14(4-2)18(17-13)10-12-11-19-16-8-6-5-7-15(12)16/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole has a molecular weight of 272.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,5-diethylpyrazole is sourced from PubChem (CID 82693864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).