5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C12H15N3O3 — CID 70806368

IUPAC5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)Cc1cc(=O)n2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C12H15N3O3/c1-12(2,3)5-7-4-9(16)15-10(14-7)8(6-13-15)11(17)18/h4,6,13H,5H2,1-3H3,(H,17,18)
InChIKeyBPEZBFCIBDXGTF-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.31
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 70806368) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID70806368
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)Cc1cc(=O)n2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C12H15N3O3/c1-12(2,3)5-7-4-9(16)15-10(14-7)8(6-13-15)11(17)18/h4,6,13H,5H2,1-3H3,(H,17,18)
InChIKeyBPEZBFCIBDXGTF-UHFFFAOYSA-N
XLogP1.31
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 70806368) is 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(C)Cc1cc(=O)n2[nH]cc(C(=O)O)c2n1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BPEZBFCIBDXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(2,3)5-7-4-9(16)15-10(14-7)8(6-13-15)11(17)18/h4,6,13H,5H2,1-3H3,(H,17,18).
What are the key properties of 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 70806368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).