2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol

C13H14N2OS — CID 103138798

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)C2CSc3ccccc32)n1
InChIInChI=1S/C13H14N2OS/c1-15-7-6-11(14-15)13(16)10-8-17-12-5-3-2-4-9(10)12/h2-7,10,13,16H,8H2,1H3
InChIKeyAENNNNIUEFMSPO-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.34
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol

2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol (PubChem CID 103138798) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol
PubChem CID103138798
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)C2CSc3ccccc32)n1
InChIInChI=1S/C13H14N2OS/c1-15-7-6-11(14-15)13(16)10-8-17-12-5-3-2-4-9(10)12/h2-7,10,13,16H,8H2,1H3
InChIKeyAENNNNIUEFMSPO-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol (CID 103138798) is 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)C2CSc3ccccc32)n1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol?
The InChIKey is AENNNNIUEFMSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-15-7-6-11(14-15)13(16)10-8-17-12-5-3-2-4-9(10)12/h2-7,10,13,16H,8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol?
2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol has a molecular weight of 246.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103138798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).