5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C7H5N3O3 — CID 135741845

IUPAC5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)ccn2n1
InChIInChI=1S/C7H5N3O3/c11-6-1-2-10-5(8-6)3-4(9-10)7(12)13/h1-3H,(H,8,11)(H,12,13)
InChIKeyICXUDYBETZLXDY-UHFFFAOYSA-N
MW179.13 g/mol
LogP-0.28
Rot. Bonds1

About 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 135741845) has the molecular formula C7H5N3O3 and a molecular weight of 179.13 g/mol. Its IUPAC name is 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID135741845
Molecular FormulaC7H5N3O3
Molecular Weight179.13 g/mol
Exact Mass179.03
IUPAC Name5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)ccn2n1
InChIInChI=1S/C7H5N3O3/c11-6-1-2-10-5(8-6)3-4(9-10)7(12)13/h1-3H,(H,8,11)(H,12,13)
InChIKeyICXUDYBETZLXDY-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 ≤ 500179.13
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 2983756
3-amino-1-methyl-1H-pyrazole-5-carboxylic acid
CID 5325687
5-amino-1-methyl-1H-pyrazole-3-carboxylic acid
CID 5325688
5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3133659
US10118930, Example 46
CID 137018471
5-(((tert-butoxy)carbonyl)amino)-1-methyl-1H-pyrazole-3-carboxylic acid
CID 84018375
7-amino-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136257497
7-methyl-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 135455844
7-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 135646598
5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 137308303
5-Amino-1-cyclopentyl-1H-pyrazole-3-carboxylic acid
CID 19619978
(5S,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 829402

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 135741845) is 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2[nH]c(=O)ccn2n1.
What is the InChIKey of 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is ICXUDYBETZLXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-6-1-2-10-5(8-6)3-4(9-10)7(12)13/h1-3H,(H,8,11)(H,12,13).
What are the key properties of 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 179.13 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 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135741845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).