2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine

C8H7BrFN3 — CID 177328889

IUPAC2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(CF)nc2cc(Br)nn12
InChIInChI=1S/C8H7BrFN3/c1-5-2-6(4-10)11-8-3-7(9)12-13(5)8/h2-3H,4H2,1H3
InChIKeyCWEYLIAINAVCOS-UHFFFAOYSA-N
MW244.07 g/mol
LogP2.27
Rot. Bonds1

About 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine

2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 177328889) has the molecular formula C8H7BrFN3 and a molecular weight of 244.07 g/mol. Its IUPAC name is 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine
PubChem CID177328889
Molecular FormulaC8H7BrFN3
Molecular Weight244.07 g/mol
Exact Mass242.98
IUPAC Name2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(CF)nc2cc(Br)nn12
InChIInChI=1S/C8H7BrFN3/c1-5-2-6(4-10)11-8-3-7(9)12-13(5)8/h2-3H,4H2,1H3
InChIKeyCWEYLIAINAVCOS-UHFFFAOYSA-N
XLogP2.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine (CID 177328889) is 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(CF)nc2cc(Br)nn12.
What is the InChIKey of 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CWEYLIAINAVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3/c1-5-2-6(4-10)11-8-3-7(9)12-13(5)8/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine?
2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 244.07 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(fluoromethyl)-7-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 177328889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).