3-pyrazolo[1,5-a]pyrimidin-2-ylphenol

C12H9N3O — CID 84678293

IUPAC3-pyrazolo[1,5-a]pyrimidin-2-ylphenol
SMILESOc1cccc(-c2cc3ncccn3n2)c1
InChIInChI=1S/C12H9N3O/c16-10-4-1-3-9(7-10)11-8-12-13-5-2-6-15(12)14-11/h1-8,16H
InChIKeyVWWFZKYUAOMVQE-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.10
Rot. Bonds1

About 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol

3-pyrazolo[1,5-a]pyrimidin-2-ylphenol (PubChem CID 84678293) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol.

Molecular Properties

Compound Name3-pyrazolo[1,5-a]pyrimidin-2-ylphenol
PubChem CID84678293
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-pyrazolo[1,5-a]pyrimidin-2-ylphenol
SMILESOc1cccc(-c2cc3ncccn3n2)c1
InChIInChI=1S/C12H9N3O/c16-10-4-1-3-9(7-10)11-8-12-13-5-2-6-15(12)14-11/h1-8,16H
InChIKeyVWWFZKYUAOMVQE-UHFFFAOYSA-N
XLogP2.10
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 84690404
3-pyrazolo[1,5-a]pyridin-2-ylphenol
CID 139886847
2-phenylpyrazolo[1,5-a]pyrimidin-6-ol
CID 117246778
2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 141372089
2-(2-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 67115185
2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidine
CID 175830982
2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
CID 141372111
3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 126672883
3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566326
3-(1-phenylimidazol-2-yl)phenol
CID 70654534
2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 59747998
5-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-2-yl-4-pyridinyl)-1,2,4-oxadiazole
CID 159940616

Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol?
The IUPAC name of 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol (CID 84678293) is 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol.
What is the SMILES notation for 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol?
The canonical SMILES for 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol is Oc1cccc(-c2cc3ncccn3n2)c1.
What is the InChIKey of 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol?
The InChIKey is VWWFZKYUAOMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-10-4-1-3-9(7-10)11-8-12-13-5-2-6-15(12)14-11/h1-8,16H.
What are the key properties of 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol?
3-pyrazolo[1,5-a]pyrimidin-2-ylphenol has a molecular weight of 211.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazolo[1,5-a]pyrimidin-2-ylphenol is sourced from PubChem (CID 84678293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).