3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide

C7H9BrN2O2S — CID 61057040

IUPAC3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C7H9BrN2O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5H2
InChIKeyGFGDISVSWGFSKS-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.01
Rot. Bonds1

About 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide

3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide (PubChem CID 61057040) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
PubChem CID61057040
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C7H9BrN2O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5H2
InChIKeyGFGDISVSWGFSKS-UHFFFAOYSA-N
XLogP1.01
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpyrazol-1-yl)thiane 1,1-dioxide
CID 84734851
1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid
CID 24689706
3-[4-(4-iodophenyl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 79784925
1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol
CID 62729829
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
(3R)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 99775691
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 67050635
2-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]aniline
CID 63338604
3-[4-(2-iodophenyl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 79787504
3-pyrazol-1-ylthiolane 1,1-dioxide
CID 43531677
[4-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
CID 82380397
[1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 94817945

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide (CID 61057040) is 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(n2cc(Br)cn2)C1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is GFGDISVSWGFSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5H2.
What are the key properties of 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide?
3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 265.13 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 61057040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).