3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C10H9BrF3N3O — CID 42640736

IUPAC3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCOc1cc(C(F)(F)F)n2nc(C)c(Br)c2n1
InChIInChI=1S/C10H9BrF3N3O/c1-3-18-7-4-6(10(12,13)14)17-9(15-7)8(11)5(2)16-17/h4H,3H2,1-2H3
InChIKeyXAZDCBGSIYQLGP-UHFFFAOYSA-N
MW324.10 g/mol
LogP3.22
Rot. Bonds2

About 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 42640736) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID42640736
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCOc1cc(C(F)(F)F)n2nc(C)c(Br)c2n1
InChIInChI=1S/C10H9BrF3N3O/c1-3-18-7-4-6(10(12,13)14)17-9(15-7)8(11)5(2)16-17/h4H,3H2,1-2H3
InChIKeyXAZDCBGSIYQLGP-UHFFFAOYSA-N
XLogP3.22
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 42640736) is 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCOc1cc(C(F)(F)F)n2nc(C)c(Br)c2n1.
What is the InChIKey of 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XAZDCBGSIYQLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c1-3-18-7-4-6(10(12,13)14)17-9(15-7)8(11)5(2)16-17/h4H,3H2,1-2H3.
What are the key properties of 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 324.10 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 42640736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).