6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

C14H9BrF3N3 — CID 91088957

IUPAC6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2cc3ncc(Br)cn3n2)c1C(F)(F)F
InChIInChI=1S/C14H9BrF3N3/c1-8-3-2-4-10(13(8)14(16,17)18)11-5-12-19-6-9(15)7-21(12)20-11/h2-7H,1H3
InChIKeyVSXUPXCRXGBJCN-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.49
Rot. Bonds1

About 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 91088957) has the molecular formula C14H9BrF3N3 and a molecular weight of 356.15 g/mol. Its IUPAC name is 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID91088957
Molecular FormulaC14H9BrF3N3
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2cc3ncc(Br)cn3n2)c1C(F)(F)F
InChIInChI=1S/C14H9BrF3N3/c1-8-3-2-4-10(13(8)14(16,17)18)11-5-12-19-6-9(15)7-21(12)20-11/h2-7H,1H3
InChIKeyVSXUPXCRXGBJCN-UHFFFAOYSA-N
XLogP4.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 91088957) is 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is Cc1cccc(-c2cc3ncc(Br)cn3n2)c1C(F)(F)F.
What is the InChIKey of 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is VSXUPXCRXGBJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N3/c1-8-3-2-4-10(13(8)14(16,17)18)11-5-12-19-6-9(15)7-21(12)20-11/h2-7H,1H3.
What are the key properties of 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 356.15 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3-methyl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91088957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).