5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine

C8H5ClF3N3O — CID 170053761

IUPAC5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)COc1cc(Cl)nc2ccnn12
InChIInChI=1S/C8H5ClF3N3O/c9-5-3-7(16-4-8(10,11)12)15-6(14-5)1-2-13-15/h1-3H,4H2
InChIKeyNSNKNZXWCRMWHT-UHFFFAOYSA-N
MW251.59 g/mol
LogP2.32
Rot. Bonds2

About 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine

5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 170053761) has the molecular formula C8H5ClF3N3O and a molecular weight of 251.59 g/mol. Its IUPAC name is 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID170053761
Molecular FormulaC8H5ClF3N3O
Molecular Weight251.59 g/mol
Exact Mass251.01
IUPAC Name5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)COc1cc(Cl)nc2ccnn12
InChIInChI=1S/C8H5ClF3N3O/c9-5-3-7(16-4-8(10,11)12)15-6(14-5)1-2-13-15/h1-3H,4H2
InChIKeyNSNKNZXWCRMWHT-UHFFFAOYSA-N
XLogP2.32
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine (CID 170053761) is 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine is FC(F)(F)COc1cc(Cl)nc2ccnn12.
What is the InChIKey of 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NSNKNZXWCRMWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O/c9-5-3-7(16-4-8(10,11)12)15-6(14-5)1-2-13-15/h1-3H,4H2.
What are the key properties of 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine?
5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 251.59 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170053761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).