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3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole

C14H14N2S — CID 142092132

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(-c2csc3ccccc23)n[nH]1
InChIInChI=1S/C14H14N2S/c1-9(2)12-7-13(16-15-12)11-8-17-14-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)
InChIKeyYKLYSJSJJUFDRH-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.41
Rot. Bonds2

About 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole

3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole (PubChem CID 142092132) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
PubChem CID142092132
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(-c2csc3ccccc23)n[nH]1
InChIInChI=1S/C14H14N2S/c1-9(2)12-7-13(16-15-12)11-8-17-14-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)
InChIKeyYKLYSJSJJUFDRH-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole?
The IUPAC name of 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole (CID 142092132) is 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole is CC(C)c1cc(-c2csc3ccccc23)n[nH]1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole?
The InChIKey is YKLYSJSJJUFDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-9(2)12-7-13(16-15-12)11-8-17-14-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16).
What are the key properties of 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole?
3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole has a molecular weight of 242.35 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 142092132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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