[1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol

C15H16N2OS — CID 55230907

IUPAC[1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2csc3ccccc23)c(C)c1CO
InChIInChI=1S/C15H16N2OS/c1-10-14(8-18)11(2)17(16-10)7-12-9-19-15-6-4-3-5-13(12)15/h3-6,9,18H,7-8H2,1-2H3
InChIKeyFVBNNBXTSUTFLY-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.26
Rot. Bonds3

About [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol

[1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 55230907) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID55230907
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name[1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2csc3ccccc23)c(C)c1CO
InChIInChI=1S/C15H16N2OS/c1-10-14(8-18)11(2)17(16-10)7-12-9-19-15-6-4-3-5-13(12)15/h3-6,9,18H,7-8H2,1-2H3
InChIKeyFVBNNBXTSUTFLY-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol (CID 55230907) is [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol is Cc1nn(Cc2csc3ccccc23)c(C)c1CO.
What is the InChIKey of [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is FVBNNBXTSUTFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-14(8-18)11(2)17(16-10)7-12-9-19-15-6-4-3-5-13(12)15/h3-6,9,18H,7-8H2,1-2H3.
What are the key properties of [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol?
[1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 272.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 55230907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).