5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C11H10F2N4O3 — CID 169120466

IUPAC5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCOC(F)(F)C3)nc12
InChIInChI=1S/C11H10F2N4O3/c12-11(13)6-16(3-4-20-11)8-1-2-17-9(15-8)7(5-14-17)10(18)19/h1-2,5H,3-4,6H2,(H,18,19)
InChIKeyQWBFMIXJHFXYDW-UHFFFAOYSA-N
MW284.22 g/mol
LogP0.86
Rot. Bonds2

About 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 169120466) has the molecular formula C11H10F2N4O3 and a molecular weight of 284.22 g/mol. Its IUPAC name is 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID169120466
Molecular FormulaC11H10F2N4O3
Molecular Weight284.22 g/mol
Exact Mass284.07
IUPAC Name5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCOC(F)(F)C3)nc12
InChIInChI=1S/C11H10F2N4O3/c12-11(13)6-16(3-4-20-11)8-1-2-17-9(15-8)7(5-14-17)10(18)19/h1-2,5H,3-4,6H2,(H,18,19)
InChIKeyQWBFMIXJHFXYDW-UHFFFAOYSA-N
XLogP0.86
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 169120466) is 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(N3CCOC(F)(F)C3)nc12.
What is the InChIKey of 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is QWBFMIXJHFXYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O3/c12-11(13)6-16(3-4-20-11)8-1-2-17-9(15-8)7(5-14-17)10(18)19/h1-2,5H,3-4,6H2,(H,18,19).
What are the key properties of 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 284.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 169120466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).