7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H5N3O3 — CID 54109092

IUPAC7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C7H5N3O3/c11-5-1-2-8-6-4(7(12)13)3-9-10(5)6/h1-3,9H,(H,12,13)
InChIKeyNFUSYCUHRCOUIN-UHFFFAOYSA-N
MW179.14 g/mol
LogP-0.28
Rot. Bonds1

About 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 54109092) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID54109092
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C7H5N3O3/c11-5-1-2-8-6-4(7(12)13)3-9-10(5)6/h1-3,9H,(H,12,13)
InChIKeyNFUSYCUHRCOUIN-UHFFFAOYSA-N
XLogP-0.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 54109092) is 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1c[nH]n2c(=O)ccnc12.
What is the InChIKey of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is NFUSYCUHRCOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-5-1-2-8-6-4(7(12)13)3-9-10(5)6/h1-3,9H,(H,12,13).
What are the key properties of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 179.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 54109092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).