5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C6H4FN3O — CID 177088883

IUPAC5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(F)nc2cc[nH]n12
InChIInChI=1S/C6H4FN3O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H
InChIKeySSKDEZPKJUUOCU-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.16
Rot. Bonds

About 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 177088883) has the molecular formula C6H4FN3O and a molecular weight of 153.12 g/mol. Its IUPAC name is 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID177088883
Molecular FormulaC6H4FN3O
Molecular Weight153.12 g/mol
Exact Mass153.03
IUPAC Name5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(F)nc2cc[nH]n12
InChIInChI=1S/C6H4FN3O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H
InChIKeySSKDEZPKJUUOCU-UHFFFAOYSA-N
XLogP0.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 177088883) is 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(F)nc2cc[nH]n12.
What is the InChIKey of 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SSKDEZPKJUUOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3O/c7-4-3-6(11)10-5(9-4)1-2-8-10/h1-3,8H.
What are the key properties of 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 153.12 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 177088883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).