3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one

C6H4ClN3O2 — CID 136504200

IUPAC3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(O)n2ncc(Cl)c2[nH]1
InChIInChI=1S/C6H4ClN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
InChIKeyLVQRZMUWAKGLRI-UHFFFAOYSA-N
MW185.57 g/mol
LogP0.38
Rot. Bonds

About 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 136504200) has the molecular formula C6H4ClN3O2 and a molecular weight of 185.57 g/mol. Its IUPAC name is 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID136504200
Molecular FormulaC6H4ClN3O2
Molecular Weight185.57 g/mol
Exact Mass185.00
IUPAC Name3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(O)n2ncc(Cl)c2[nH]1
InChIInChI=1S/C6H4ClN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
InChIKeyLVQRZMUWAKGLRI-UHFFFAOYSA-N
XLogP0.38
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 136504200) is 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(O)n2ncc(Cl)c2[nH]1.
What is the InChIKey of 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is LVQRZMUWAKGLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11).
What are the key properties of 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 185.57 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136504200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).