2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid

C12H16N6O4S — CID 146092778

IUPAC2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N2CCCC(n3ccnn3)C2)cn1
InChIInChI=1S/C12H16N6O4S/c19-12(20)9-16-8-11(6-14-16)23(21,22)17-4-1-2-10(7-17)18-5-3-13-15-18/h3,5-6,8,10H,1-2,4,7,9H2,(H,19,20)
InChIKeyWEBVCKATWPILPU-UHFFFAOYSA-N
MW340.37 g/mol
LogP-0.41
Rot. Bonds5

About 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid

2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid (PubChem CID 146092778) has the molecular formula C12H16N6O4S and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
PubChem CID146092778
Molecular FormulaC12H16N6O4S
Molecular Weight340.37 g/mol
Exact Mass340.10
IUPAC Name2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N2CCCC(n3ccnn3)C2)cn1
InChIInChI=1S/C12H16N6O4S/c19-12(20)9-16-8-11(6-14-16)23(21,22)17-4-1-2-10(7-17)18-5-3-13-15-18/h3,5-6,8,10H,1-2,4,7,9H2,(H,19,20)
InChIKeyWEBVCKATWPILPU-UHFFFAOYSA-N
XLogP-0.41
TPSA123.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43511219
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 94895656
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 61403798
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyrazol-1-yl]acetic acid
CID 43581519
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]triazole-4-carboxylic acid
CID 146134344
2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 79675332
1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121151092
7-[3-(triazol-1-yl)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 167926768
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621
2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43542000

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid (CID 146092778) is 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)N2CCCC(n3ccnn3)C2)cn1.
What is the InChIKey of 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is WEBVCKATWPILPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O4S/c19-12(20)9-16-8-11(6-14-16)23(21,22)17-4-1-2-10(7-17)18-5-3-13-15-18/h3,5-6,8,10H,1-2,4,7,9H2,(H,19,20).
What are the key properties of 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid?
2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid has a molecular weight of 340.37 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 146092778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).