3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine

C8H7BrFN3 — CID 70997038

IUPAC3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cn2nc(F)c(Br)c2nc1C
InChIInChI=1S/C8H7BrFN3/c1-4-3-13-8(11-5(4)2)6(9)7(10)12-13/h3H,1-2H3
InChIKeyABVUOIPNXGHEPW-UHFFFAOYSA-N
MW244.07 g/mol
LogP2.25
Rot. Bonds

About 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine

3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 70997038) has the molecular formula C8H7BrFN3 and a molecular weight of 244.07 g/mol. Its IUPAC name is 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID70997038
Molecular FormulaC8H7BrFN3
Molecular Weight244.07 g/mol
Exact Mass242.98
IUPAC Name3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cn2nc(F)c(Br)c2nc1C
InChIInChI=1S/C8H7BrFN3/c1-4-3-13-8(11-5(4)2)6(9)7(10)12-13/h3H,1-2H3
InChIKeyABVUOIPNXGHEPW-UHFFFAOYSA-N
XLogP2.25
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine (CID 70997038) is 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cn2nc(F)c(Br)c2nc1C.
What is the InChIKey of 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ABVUOIPNXGHEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3/c1-4-3-13-8(11-5(4)2)6(9)7(10)12-13/h3H,1-2H3.
What are the key properties of 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 244.07 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-5,6-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70997038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).