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

C12H7BrFN3O — CID 115372265

IUPAC5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(Oc2ccn3nccc3n2)ccc1Br
InChIInChI=1S/C12H7BrFN3O/c13-9-2-1-8(7-10(9)14)18-12-4-6-17-11(16-12)3-5-15-17/h1-7H
InChIKeyNFIKFBOGDHMXJP-UHFFFAOYSA-N
MW308.11 g/mol
LogP3.42
Rot. Bonds2

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

5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 115372265) has the molecular formula C12H7BrFN3O and a molecular weight of 308.11 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID115372265
Molecular FormulaC12H7BrFN3O
Molecular Weight308.11 g/mol
Exact Mass306.98
IUPAC Name5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(Oc2ccn3nccc3n2)ccc1Br
InChIInChI=1S/C12H7BrFN3O/c13-9-2-1-8(7-10(9)14)18-12-4-6-17-11(16-12)3-5-15-17/h1-7H
InChIKeyNFIKFBOGDHMXJP-UHFFFAOYSA-N
XLogP3.42
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 83132957
(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372967
3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 113296761
2-(4-bromo-3-fluorophenoxy)quinoline
CID 65203173
3-fluoro-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 104832144
5-(4-bromo-2-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372263
(2-fluoro-6-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372963
6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80878320
3-bromo-4-(4-bromo-3-fluorophenoxy)pyridine
CID 104776669
6-(4-bromo-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 79176366
[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine
CID 107542699
4-(4-bromo-3-fluorophenoxy)quinoline
CID 65203118

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine (CID 115372265) is 5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine is Fc1cc(Oc2ccn3nccc3n2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NFIKFBOGDHMXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O/c13-9-2-1-8(7-10(9)14)18-12-4-6-17-11(16-12)3-5-15-17/h1-7H.
What are the key properties of 5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine?
5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 308.11 g/mol, XLogP of 3.42, 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-fluorophenoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 115372265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).