2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid

C9H13N3O5S — CID 94895656

IUPAC2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N2CC[C@H](O)C2)cn1
InChIInChI=1S/C9H13N3O5S/c13-7-1-2-12(4-7)18(16,17)8-3-10-11(5-8)6-9(14)15/h3,5,7,13H,1-2,4,6H2,(H,14,15)/t7-/m0/s1
InChIKeyZZKVABLNJFBMAF-ZETCQYMHSA-N
MW275.29 g/mol
LogP-1.28
Rot. Bonds4

About 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid

2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid (PubChem CID 94895656) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
PubChem CID94895656
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N2CC[C@H](O)C2)cn1
InChIInChI=1S/C9H13N3O5S/c13-7-1-2-12(4-7)18(16,17)8-3-10-11(5-8)6-9(14)15/h3,5,7,13H,1-2,4,6H2,(H,14,15)/t7-/m0/s1
InChIKeyZZKVABLNJFBMAF-ZETCQYMHSA-N
XLogP-1.28
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43511219
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
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-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 146092778
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyrazol-1-yl]acetic acid
CID 43581519
2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 79675332
3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 61225613
2-[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pyrazol-1-yl]acetic acid
CID 114408416
2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43542000
3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 79188745
3-[4-[2-(hydroxymethyl)morpholin-4-yl]sulfonylpyrazol-1-yl]propanoic acid
CID 81193748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid (CID 94895656) is 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)N2CC[C@H](O)C2)cn1.
What is the InChIKey of 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is ZZKVABLNJFBMAF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O5S/c13-7-1-2-12(4-7)18(16,17)8-3-10-11(5-8)6-9(14)15/h3,5,7,13H,1-2,4,6H2,(H,14,15)/t7-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid?
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid has a molecular weight of 275.29 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 94895656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).