5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C13H15N3O5 — CID 175117317

IUPAC5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1nc2cc(C3CCOCC3)[nH]n2c(=O)c1C(=O)O
InChIInChI=1S/C13H15N3O5/c1-20-11-10(13(18)19)12(17)16-9(14-11)6-8(15-16)7-2-4-21-5-3-7/h6-7,15H,2-5H2,1H3,(H,18,19)
InChIKeyOJKBUGMQDAWFKM-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.62
Rot. Bonds3

About 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 175117317) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID175117317
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1nc2cc(C3CCOCC3)[nH]n2c(=O)c1C(=O)O
InChIInChI=1S/C13H15N3O5/c1-20-11-10(13(18)19)12(17)16-9(14-11)6-8(15-16)7-2-4-21-5-3-7/h6-7,15H,2-5H2,1H3,(H,18,19)
InChIKeyOJKBUGMQDAWFKM-UHFFFAOYSA-N
XLogP0.62
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 175117317) is 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is COc1nc2cc(C3CCOCC3)[nH]n2c(=O)c1C(=O)O.
What is the InChIKey of 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is OJKBUGMQDAWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-20-11-10(13(18)19)12(17)16-9(14-11)6-8(15-16)7-2-4-21-5-3-7/h6-7,15H,2-5H2,1H3,(H,18,19).
What are the key properties of 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 175117317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).