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

C10H15N3O5S — CID 43511219

IUPAC2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N2CCCC(O)C2)cn1
InChIInChI=1S/C10H15N3O5S/c14-8-2-1-3-13(5-8)19(17,18)9-4-11-12(6-9)7-10(15)16/h4,6,8,14H,1-3,5,7H2,(H,15,16)
InChIKeyJVJLELVPDNTFSZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.89
Rot. Bonds4

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

2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid (PubChem CID 43511219) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
PubChem CID43511219
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N2CCCC(O)C2)cn1
InChIInChI=1S/C10H15N3O5S/c14-8-2-1-3-13(5-8)19(17,18)9-4-11-12(6-9)7-10(15)16/h4,6,8,14H,1-3,5,7H2,(H,15,16)
InChIKeyJVJLELVPDNTFSZ-UHFFFAOYSA-N
XLogP-0.89
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 146092778
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
2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 79675332
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621
3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 61225613
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
3-[4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrazol-1-yl]propanoic acid
CID 62988175
2-[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pyrazol-1-yl]acetic acid
CID 114408416

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid (CID 43511219) is 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)N2CCCC(O)C2)cn1.
What is the InChIKey of 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is JVJLELVPDNTFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c14-8-2-1-3-13(5-8)19(17,18)9-4-11-12(6-9)7-10(15)16/h4,6,8,14H,1-3,5,7H2,(H,15,16).
What are the key properties of 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid has a molecular weight of 289.31 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).