4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol

C12H8BrN3O — CID 52947893

IUPAC4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol
SMILESOc1ccc(-c2cnc3c(Br)cnn3c2)cc1
InChIInChI=1S/C12H8BrN3O/c13-11-6-15-16-7-9(5-14-12(11)16)8-1-3-10(17)4-2-8/h1-7,17H
InChIKeyXBHIAJWNXVJSAA-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.86
Rot. Bonds1

About 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol

4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol (PubChem CID 52947893) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol.

Molecular Properties

Compound Name4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol
PubChem CID52947893
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol
SMILESOc1ccc(-c2cnc3c(Br)cnn3c2)cc1
InChIInChI=1S/C12H8BrN3O/c13-11-6-15-16-7-9(5-14-12(11)16)8-1-3-10(17)4-2-8/h1-7,17H
InChIKeyXBHIAJWNXVJSAA-UHFFFAOYSA-N
XLogP2.86
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol?
The IUPAC name of 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol (CID 52947893) is 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol.
What is the SMILES notation for 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol?
The canonical SMILES for 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol is Oc1ccc(-c2cnc3c(Br)cnn3c2)cc1.
What is the InChIKey of 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol?
The InChIKey is XBHIAJWNXVJSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-11-6-15-16-7-9(5-14-12(11)16)8-1-3-10(17)4-2-8/h1-7,17H.
What are the key properties of 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol?
4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol has a molecular weight of 290.12 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol is sourced from PubChem (CID 52947893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).