1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole

C13H14N2S — CID 79223895

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole
SMILESCc1ccn(CC2Cc3ccccc3S2)n1
InChIInChI=1S/C13H14N2S/c1-10-6-7-15(14-10)9-12-8-11-4-2-3-5-13(11)16-12/h2-7,12H,8-9H2,1H3
InChIKeyRDPGAAYJKOBYJY-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.91
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole (PubChem CID 79223895) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole
PubChem CID79223895
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole
SMILESCc1ccn(CC2Cc3ccccc3S2)n1
InChIInChI=1S/C13H14N2S/c1-10-6-7-15(14-10)9-12-8-11-4-2-3-5-13(11)16-12/h2-7,12H,8-9H2,1H3
InChIKeyRDPGAAYJKOBYJY-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-amine
CID 79222952
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine
CID 79224217
N-[[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79206185
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethyl-1,2,4-triazole
CID 79349818
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 79227333
[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylimidazol-4-yl]methanamine
CID 79223450
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
CID 80582050
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 79227384
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole (CID 79223895) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole is Cc1ccn(CC2Cc3ccccc3S2)n1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole?
The InChIKey is RDPGAAYJKOBYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-6-7-15(14-10)9-12-8-11-4-2-3-5-13(11)16-12/h2-7,12H,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole has a molecular weight of 230.34 g/mol, XLogP of 2.91, 2 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-2-ylmethyl)-3-methylpyrazole is sourced from PubChem (CID 79223895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).