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

C9H9N3O3 — CID 56736946

IUPAC5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1cc(=O)n2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C9H9N3O3/c1-2-5-3-7(13)12-8(11-5)6(4-10-12)9(14)15/h3-4,10H,2H2,1H3,(H,14,15)
InChIKeyYTMQENMOMMBJER-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.28
Rot. Bonds2

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

5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 56736946) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID56736946
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1cc(=O)n2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C9H9N3O3/c1-2-5-3-7(13)12-8(11-5)6(4-10-12)9(14)15/h3-4,10H,2H2,1H3,(H,14,15)
InChIKeyYTMQENMOMMBJER-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 56736946) is 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCc1cc(=O)n2[nH]cc(C(=O)O)c2n1.
What is the InChIKey of 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is YTMQENMOMMBJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-2-5-3-7(13)12-8(11-5)6(4-10-12)9(14)15/h3-4,10H,2H2,1H3,(H,14,15).
What are the key properties of 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 56736946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).