2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol

C12H20N2OS — CID 105103437

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)C2CCSC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(2)14-5-3-11(13-14)7-12(15)10-4-6-16-8-10/h3,5,9-10,12,15H,4,6-8H2,1-2H3
InChIKeyAXJVDCGHGVBJDL-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.12
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol

2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol (PubChem CID 105103437) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
PubChem CID105103437
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)C2CCSC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(2)14-5-3-11(13-14)7-12(15)10-4-6-16-8-10/h3,5,9-10,12,15H,4,6-8H2,1-2H3
InChIKeyAXJVDCGHGVBJDL-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
N-ethyl-1-(1-propan-2-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105154970
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105155745
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190389
2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 130815238
2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105175095
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65424963
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 79980806
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 105103444

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol (CID 105103437) is 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol is CC(C)n1ccc(CC(O)C2CCSC2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol?
The InChIKey is AXJVDCGHGVBJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)14-5-3-11(13-14)7-12(15)10-4-6-16-8-10/h3,5,9-10,12,15H,4,6-8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol?
2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol has a molecular weight of 240.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 105103437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).