1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine

C11H13N5O2S — CID 165057598

IUPAC1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine
SMILESNc1cnn(S(=O)(=O)c2ccc(N3CCC3)nc2)c1
InChIInChI=1S/C11H13N5O2S/c12-9-6-14-16(8-9)19(17,18)10-2-3-11(13-7-10)15-4-1-5-15/h2-3,6-8H,1,4-5,12H2
InChIKeyQRJKZSLLWRWHLC-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.31
Rot. Bonds3

About 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine

1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine (PubChem CID 165057598) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine
PubChem CID165057598
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine
SMILESNc1cnn(S(=O)(=O)c2ccc(N3CCC3)nc2)c1
InChIInChI=1S/C11H13N5O2S/c12-9-6-14-16(8-9)19(17,18)10-2-3-11(13-7-10)15-4-1-5-15/h2-3,6-8H,1,4-5,12H2
InChIKeyQRJKZSLLWRWHLC-UHFFFAOYSA-N
XLogP0.31
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
6-(4-aminopyrazol-1-yl)pyridine-3-sulfonamide
CID 61175242
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
(6-piperidin-1-yl-3-pyridinyl)sulfonylmethanol
CID 58327638
1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
1-(4-methylphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)-1,4-diazepane
CID 16797151

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine?
The IUPAC name of 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine (CID 165057598) is 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine?
The canonical SMILES for 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine is Nc1cnn(S(=O)(=O)c2ccc(N3CCC3)nc2)c1.
What is the InChIKey of 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine?
The InChIKey is QRJKZSLLWRWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-9-6-14-16(8-9)19(17,18)10-2-3-11(13-7-10)15-4-1-5-15/h2-3,6-8H,1,4-5,12H2.
What are the key properties of 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine?
1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine has a molecular weight of 279.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(azetidin-1-yl)-3-pyridinyl]sulfonyl]pyrazol-4-amine is sourced from PubChem (CID 165057598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).