4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine

C13H9BrFN3O — CID 104730236

IUPAC4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(Oc3cc(F)cc(Br)c3)nccn2n1
InChIInChI=1S/C13H9BrFN3O/c1-8-4-12-13(16-2-3-18(12)17-8)19-11-6-9(14)5-10(15)7-11/h2-7H,1H3
InChIKeyBGJWJLAPTNRKAB-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.73
Rot. Bonds2

About 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine

4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 104730236) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID104730236
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(Oc3cc(F)cc(Br)c3)nccn2n1
InChIInChI=1S/C13H9BrFN3O/c1-8-4-12-13(16-2-3-18(12)17-8)19-11-6-9(14)5-10(15)7-11/h2-7H,1H3
InChIKeyBGJWJLAPTNRKAB-UHFFFAOYSA-N
XLogP3.73
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine (CID 104730236) is 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine is Cc1cc2c(Oc3cc(F)cc(Br)c3)nccn2n1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is BGJWJLAPTNRKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c1-8-4-12-13(16-2-3-18(12)17-8)19-11-6-9(14)5-10(15)7-11/h2-7H,1H3.
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine?
4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine has a molecular weight of 322.14 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104730236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).