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

C13H16N2O2S — CID 166243854

IUPAC[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol
SMILESOCc1cscc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C13H16N2O2S/c16-7-11-8-18-9-12(11)10-5-14-15(6-10)13-3-1-2-4-17-13/h5-6,8-9,13,16H,1-4,7H2
InChIKeyPTKHADLLQAXJRZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.80
Rot. Bonds3

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

[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol (PubChem CID 166243854) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol
PubChem CID166243854
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol
SMILESOCc1cscc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C13H16N2O2S/c16-7-11-8-18-9-12(11)10-5-14-15(6-10)13-3-1-2-4-17-13/h5-6,8-9,13,16H,1-4,7H2
InChIKeyPTKHADLLQAXJRZ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol
CID 166638783
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-6-ol
CID 175708982
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 142796783
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 165117179
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415

Frequently Asked Questions

What is the IUPAC name of [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol?
The IUPAC name of [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol (CID 166243854) is [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol.
What is the SMILES notation for [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol?
The canonical SMILES for [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol is OCc1cscc1-c1cnn(C2CCCCO2)c1.
What is the InChIKey of [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol?
The InChIKey is PTKHADLLQAXJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-7-11-8-18-9-12(11)10-5-14-15(6-10)13-3-1-2-4-17-13/h5-6,8-9,13,16H,1-4,7H2.
What are the key properties of [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol?
[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol has a molecular weight of 264.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol is sourced from PubChem (CID 166243854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).