2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid

C14H11N3O2S — CID 115372236

IUPAC2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(Sc2ccn3nccc3n2)cc1
InChIInChI=1S/C14H11N3O2S/c18-14(19)9-10-1-3-11(4-2-10)20-13-6-8-17-12(16-13)5-7-15-17/h1-8H,9H2,(H,18,19)
InChIKeyUQGFWABDGRZIDW-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid

2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid (PubChem CID 115372236) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid
PubChem CID115372236
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(Sc2ccn3nccc3n2)cc1
InChIInChI=1S/C14H11N3O2S/c18-14(19)9-10-1-3-11(4-2-10)20-13-6-8-17-12(16-13)5-7-15-17/h1-8H,9H2,(H,18,19)
InChIKeyUQGFWABDGRZIDW-UHFFFAOYSA-N
XLogP2.51
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid (CID 115372236) is 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid is O=C(O)Cc1ccc(Sc2ccn3nccc3n2)cc1.
What is the InChIKey of 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid?
The InChIKey is UQGFWABDGRZIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-14(19)9-10-1-3-11(4-2-10)20-13-6-8-17-12(16-13)5-7-15-17/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid?
2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid has a molecular weight of 285.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid is sourced from PubChem (CID 115372236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).