3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide

C10H16N2OS — CID 172606973

IUPAC3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide
SMILESCC(C)c1cnn(C2CCS(=O)C2)c1
InChIInChI=1S/C10H16N2OS/c1-8(2)9-5-11-12(6-9)10-3-4-14(13)7-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyFFVXKOQALOUBCE-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.70
Rot. Bonds2

About 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide

3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide (PubChem CID 172606973) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide.

Molecular Properties

Compound Name3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide
PubChem CID172606973
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide
SMILESCC(C)c1cnn(C2CCS(=O)C2)c1
InChIInChI=1S/C10H16N2OS/c1-8(2)9-5-11-12(6-9)10-3-4-14(13)7-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyFFVXKOQALOUBCE-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
CID 155739616
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401350
3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
CID 167386802
1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 62727296
(1R)-1-(1-cyclopentylpyrazol-4-yl)ethanamine
CID 94575332
N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine
CID 155740125
2-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764977
4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
CID 155402038
1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
CID 121383014
2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one
CID 167386959

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide?
The IUPAC name of 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide (CID 172606973) is 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide.
What is the SMILES notation for 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide?
The canonical SMILES for 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide is CC(C)c1cnn(C2CCS(=O)C2)c1.
What is the InChIKey of 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide?
The InChIKey is FFVXKOQALOUBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)9-5-11-12(6-9)10-3-4-14(13)7-10/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide?
3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide has a molecular weight of 212.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpyrazol-1-yl)thiolane 1-oxide is sourced from PubChem (CID 172606973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).