2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

C8H7N3O3 — CID 83878264

IUPAC2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1cnc2cc[nH]n2c1=O
InChIInChI=1S/C8H7N3O3/c12-7(13)3-5-4-9-6-1-2-10-11(6)8(5)14/h1-2,4,10H,3H2,(H,12,13)
InChIKeyNDQSGZCAQBBJGX-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.35
Rot. Bonds2

About 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 83878264) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID83878264
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1cnc2cc[nH]n2c1=O
InChIInChI=1S/C8H7N3O3/c12-7(13)3-5-4-9-6-1-2-10-11(6)8(5)14/h1-2,4,10H,3H2,(H,12,13)
InChIKeyNDQSGZCAQBBJGX-UHFFFAOYSA-N
XLogP-0.35
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 83878264) is 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is O=C(O)Cc1cnc2cc[nH]n2c1=O.
What is the InChIKey of 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is NDQSGZCAQBBJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-7(13)3-5-4-9-6-1-2-10-11(6)8(5)14/h1-2,4,10H,3H2,(H,12,13).
What are the key properties of 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 193.16 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83878264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).