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

C10H9N3O3 — CID 83678981

IUPAC5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2c(=O)cc(C3CC3)nc12
InChIInChI=1S/C10H9N3O3/c14-8-3-7(5-1-2-5)12-9-6(10(15)16)4-11-13(8)9/h3-5,11H,1-2H2,(H,15,16)
InChIKeyUBDJAWUJXJDIFS-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.60
Rot. Bonds2

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

5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 83678981) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID83678981
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2c(=O)cc(C3CC3)nc12
InChIInChI=1S/C10H9N3O3/c14-8-3-7(5-1-2-5)12-9-6(10(15)16)4-11-13(8)9/h3-5,11H,1-2H2,(H,15,16)
InChIKeyUBDJAWUJXJDIFS-UHFFFAOYSA-N
XLogP0.60
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 83678981) is 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1c[nH]n2c(=O)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is UBDJAWUJXJDIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-8-3-7(5-1-2-5)12-9-6(10(15)16)4-11-13(8)9/h3-5,11H,1-2H2,(H,15,16).
What are the key properties of 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 83678981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).