5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H11N3O3 — CID 84696497

IUPAC5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2nc(C3CC3)c(C(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C11H11N3O3/c1-5-4-7-12-9(6-2-3-6)8(11(16)17)10(15)14(7)13-5/h4,6,13H,2-3H2,1H3,(H,16,17)
InChIKeyWPHVWEWLULWERX-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.91
Rot. Bonds2

About 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 84696497) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID84696497
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2nc(C3CC3)c(C(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C11H11N3O3/c1-5-4-7-12-9(6-2-3-6)8(11(16)17)10(15)14(7)13-5/h4,6,13H,2-3H2,1H3,(H,16,17)
InChIKeyWPHVWEWLULWERX-UHFFFAOYSA-N
XLogP0.91
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 84696497) is 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1cc2nc(C3CC3)c(C(=O)O)c(=O)n2[nH]1.
What is the InChIKey of 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is WPHVWEWLULWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-5-4-7-12-9(6-2-3-6)8(11(16)17)10(15)14(7)13-5/h4,6,13H,2-3H2,1H3,(H,16,17).
What are the key properties of 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84696497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).