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

C12H9N3O — CID 56701301

IUPAC4-pyrazolo[1,5-a]pyrimidin-3-ylphenol
SMILESOc1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C12H9N3O/c16-10-4-2-9(3-5-10)11-8-14-15-7-1-6-13-12(11)15/h1-8,16H
InChIKeyRILMOLPAVZATAT-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.10
Rot. Bonds1

About 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol

4-pyrazolo[1,5-a]pyrimidin-3-ylphenol (PubChem CID 56701301) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol.

Molecular Properties

Compound Name4-pyrazolo[1,5-a]pyrimidin-3-ylphenol
PubChem CID56701301
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-pyrazolo[1,5-a]pyrimidin-3-ylphenol
SMILESOc1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C12H9N3O/c16-10-4-2-9(3-5-10)11-8-14-15-7-1-6-13-12(11)15/h1-8,16H
InChIKeyRILMOLPAVZATAT-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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Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol?
The IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol (CID 56701301) is 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol.
What is the SMILES notation for 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol?
The canonical SMILES for 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol is Oc1ccc(-c2cnn3cccnc23)cc1.
What is the InChIKey of 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol?
The InChIKey is RILMOLPAVZATAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-10-4-2-9(3-5-10)11-8-14-15-7-1-6-13-12(11)15/h1-8,16H.
What are the key properties of 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol?
4-pyrazolo[1,5-a]pyrimidin-3-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 4-pyrazolo[1,5-a]pyrimidin-3-ylphenol is sourced from PubChem (CID 56701301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).