2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol

C18H13N3O3 — CID 135678114

IUPAC2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol
SMILESOc1ccc(-c2nn3cc(O)cnc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H13N3O3/c22-13-5-1-11(2-6-13)16-17(12-3-7-14(23)8-4-12)20-21-10-15(24)9-19-18(16)21/h1-10,22-24H
InChIKeyXZDBAWYEMYSRFY-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.18
Rot. Bonds2

About 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol

2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol (PubChem CID 135678114) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol.

Molecular Properties

Compound Name2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol
PubChem CID135678114
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol
SMILESOc1ccc(-c2nn3cc(O)cnc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H13N3O3/c22-13-5-1-11(2-6-13)16-17(12-3-7-14(23)8-4-12)20-21-10-15(24)9-19-18(16)21/h1-10,22-24H
InChIKeyXZDBAWYEMYSRFY-UHFFFAOYSA-N
XLogP3.18
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol?
The IUPAC name of 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol (CID 135678114) is 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol.
What is the SMILES notation for 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol?
The canonical SMILES for 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol is Oc1ccc(-c2nn3cc(O)cnc3c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol?
The InChIKey is XZDBAWYEMYSRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-13-5-1-11(2-6-13)16-17(12-3-7-14(23)8-4-12)20-21-10-15(24)9-19-18(16)21/h1-10,22-24H.
What are the key properties of 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol?
2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol has a molecular weight of 319.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-6-ol is sourced from PubChem (CID 135678114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).