5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine

C13H10BrN3O — CID 83132957

IUPAC5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Oc2ccn3nccc3n2)ccc1Br
InChIInChI=1S/C13H10BrN3O/c1-9-8-10(2-3-11(9)14)18-13-5-7-17-12(16-13)4-6-15-17/h2-8H,1H3
InChIKeyQQABVRNVEYFDLJ-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.59
Rot. Bonds2

About 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine

5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 83132957) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID83132957
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Oc2ccn3nccc3n2)ccc1Br
InChIInChI=1S/C13H10BrN3O/c1-9-8-10(2-3-11(9)14)18-13-5-7-17-12(16-13)4-6-15-17/h2-8H,1H3
InChIKeyQQABVRNVEYFDLJ-UHFFFAOYSA-N
XLogP3.59
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine (CID 83132957) is 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine is Cc1cc(Oc2ccn3nccc3n2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QQABVRNVEYFDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-9-8-10(2-3-11(9)14)18-13-5-7-17-12(16-13)4-6-15-17/h2-8H,1H3.
What are the key properties of 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine?
5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 304.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 83132957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).