[1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol

C13H16N2O2S — CID 164783057

IUPAC[1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1cnn(C2CCCCO2)c1
InChIInChI=1S/C13H16N2O2S/c16-13(10-4-6-18-9-10)11-7-14-15(8-11)12-3-1-2-5-17-12/h4,6-9,12-13,16H,1-3,5H2
InChIKeyMFPMRSPTDYUKPX-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.73
Rot. Bonds3

About [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol

[1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol (PubChem CID 164783057) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol.

Molecular Properties

Compound Name[1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol
PubChem CID164783057
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1cnn(C2CCCCO2)c1
InChIInChI=1S/C13H16N2O2S/c16-13(10-4-6-18-9-10)11-7-14-15(8-11)12-3-1-2-5-17-12/h4,6-9,12-13,16H,1-3,5H2
InChIKeyMFPMRSPTDYUKPX-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol?
The IUPAC name of [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol (CID 164783057) is [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol.
What is the SMILES notation for [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol?
The canonical SMILES for [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol is OC(c1ccsc1)c1cnn(C2CCCCO2)c1.
What is the InChIKey of [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol?
The InChIKey is MFPMRSPTDYUKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-13(10-4-6-18-9-10)11-7-14-15(8-11)12-3-1-2-5-17-12/h4,6-9,12-13,16H,1-3,5H2.
What are the key properties of [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol?
[1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol has a molecular weight of 264.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol is sourced from PubChem (CID 164783057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).