2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C15H19N3O4 — CID 82271501

IUPAC2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCn1c(C(=O)O)cc(=O)n2nc(C3CCOCC3)cc12
InChIInChI=1S/C15H19N3O4/c1-2-5-17-12(15(20)21)9-14(19)18-13(17)8-11(16-18)10-3-6-22-7-4-10/h8-10H,2-7H2,1H3,(H,20,21)
InChIKeyMXSUXOOFPCSHBS-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.50
Rot. Bonds4

About 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271501) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271501
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCn1c(C(=O)O)cc(=O)n2nc(C3CCOCC3)cc12
InChIInChI=1S/C15H19N3O4/c1-2-5-17-12(15(20)21)9-14(19)18-13(17)8-11(16-18)10-3-6-22-7-4-10/h8-10H,2-7H2,1H3,(H,20,21)
InChIKeyMXSUXOOFPCSHBS-UHFFFAOYSA-N
XLogP1.50
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271501) is 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCCn1c(C(=O)O)cc(=O)n2nc(C3CCOCC3)cc12.
What is the InChIKey of 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is MXSUXOOFPCSHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-5-17-12(15(20)21)9-14(19)18-13(17)8-11(16-18)10-3-6-22-7-4-10/h8-10H,2-7H2,1H3,(H,20,21).
What are the key properties of 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).