4-(azetidin-1-ylsulfonyl)-1-methylpyrazole

C7H11N3O2S — CID 141430347

IUPAC4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
SMILESCn1cc(S(=O)(=O)N2CCC2)cn1
InChIInChI=1S/C7H11N3O2S/c1-9-6-7(5-8-9)13(11,12)10-3-2-4-10/h5-6H,2-4H2,1H3
InChIKeyMJSXPDBXTDLSOX-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.19
Rot. Bonds2

About 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole

4-(azetidin-1-ylsulfonyl)-1-methylpyrazole (PubChem CID 141430347) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
PubChem CID141430347
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
SMILESCn1cc(S(=O)(=O)N2CCC2)cn1
InChIInChI=1S/C7H11N3O2S/c1-9-6-7(5-8-9)13(11,12)10-3-2-4-10/h5-6H,2-4H2,1H3
InChIKeyMJSXPDBXTDLSOX-UHFFFAOYSA-N
XLogP-0.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 47206241
4-[[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]morpholine
CID 91629454
4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-2-one
CID 62898950
1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 86266983
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile
CID 63337013
(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 124553890
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63853842
2-methyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341182
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022440
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole?
The IUPAC name of 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole (CID 141430347) is 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole.
What is the SMILES notation for 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole?
The canonical SMILES for 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole is Cn1cc(S(=O)(=O)N2CCC2)cn1.
What is the InChIKey of 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole?
The InChIKey is MJSXPDBXTDLSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-9-6-7(5-8-9)13(11,12)10-3-2-4-10/h5-6H,2-4H2,1H3.
What are the key properties of 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole?
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole has a molecular weight of 201.25 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylsulfonyl)-1-methylpyrazole is sourced from PubChem (CID 141430347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).