4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide

C13H9FN4O — CID 91629110

IUPAC4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
SMILESO=C(Nc1cnc2ccnn2c1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O/c14-10-3-1-9(2-4-10)13(19)17-11-7-15-12-5-6-16-18(12)8-11/h1-8H,(H,17,19)
InChIKeyYZBRMAXFVHWZAJ-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.12
Rot. Bonds2

About 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide

4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide (PubChem CID 91629110) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
PubChem CID91629110
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
SMILESO=C(Nc1cnc2ccnn2c1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O/c14-10-3-1-9(2-4-10)13(19)17-11-7-15-12-5-6-16-18(12)8-11/h1-8H,(H,17,19)
InChIKeyYZBRMAXFVHWZAJ-UHFFFAOYSA-N
XLogP2.12
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide?
The IUPAC name of 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide (CID 91629110) is 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide?
The canonical SMILES for 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide is O=C(Nc1cnc2ccnn2c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide?
The InChIKey is YZBRMAXFVHWZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-10-3-1-9(2-4-10)13(19)17-11-7-15-12-5-6-16-18(12)8-11/h1-8H,(H,17,19).
What are the key properties of 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide?
4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide has a molecular weight of 256.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide is sourced from PubChem (CID 91629110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).