5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C10H8F2N4O2 — CID 146020140

IUPAC5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CC(F)(F)C3)nc12
InChIInChI=1S/C10H8F2N4O2/c11-10(12)4-15(5-10)7-1-2-16-8(14-7)6(3-13-16)9(17)18/h1-3H,4-5H2,(H,17,18)
InChIKeyBGCNDYUEQDQNLV-UHFFFAOYSA-N
MW254.20 g/mol
LogP0.88
Rot. Bonds2

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

5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 146020140) has the molecular formula C10H8F2N4O2 and a molecular weight of 254.20 g/mol. Its IUPAC name is 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID146020140
Molecular FormulaC10H8F2N4O2
Molecular Weight254.20 g/mol
Exact Mass254.06
IUPAC Name5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CC(F)(F)C3)nc12
InChIInChI=1S/C10H8F2N4O2/c11-10(12)4-15(5-10)7-1-2-16-8(14-7)6(3-13-16)9(17)18/h1-3H,4-5H2,(H,17,18)
InChIKeyBGCNDYUEQDQNLV-UHFFFAOYSA-N
XLogP0.88
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 146020140) is 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(N3CC(F)(F)C3)nc12.
What is the InChIKey of 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BGCNDYUEQDQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O2/c11-10(12)4-15(5-10)7-1-2-16-8(14-7)6(3-13-16)9(17)18/h1-3H,4-5H2,(H,17,18).
What are the key properties of 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 254.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146020140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).