2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid

C8H7N3O2 — CID 83874643

IUPAC2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid
SMILESO=C(O)Cc1cnn2cccnc12
InChIInChI=1S/C8H7N3O2/c12-7(13)4-6-5-10-11-3-1-2-9-8(6)11/h1-3,5H,4H2,(H,12,13)
InChIKeyBONXGVQIZCILHY-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.36
Rot. Bonds2

About 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid

2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid (PubChem CID 83874643) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid
PubChem CID83874643
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid
SMILESO=C(O)Cc1cnn2cccnc12
InChIInChI=1S/C8H7N3O2/c12-7(13)4-6-5-10-11-3-1-2-9-8(6)11/h1-3,5H,4H2,(H,12,13)
InChIKeyBONXGVQIZCILHY-UHFFFAOYSA-N
XLogP0.36
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid?
The IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid (CID 83874643) is 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid is O=C(O)Cc1cnn2cccnc12.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid?
The InChIKey is BONXGVQIZCILHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-7(13)4-6-5-10-11-3-1-2-9-8(6)11/h1-3,5H,4H2,(H,12,13).
What are the key properties of 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid?
2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid has a molecular weight of 177.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrimidin-3-ylacetic acid is sourced from PubChem (CID 83874643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).