7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H9ClF3N3O — CID 82270016

IUPAC7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2nc(C3CCCO3)cc2n1
InChIInChI=1S/C11H9ClF3N3O/c12-9-5-8(11(13,14)15)16-10-4-6(17-18(9)10)7-2-1-3-19-7/h4-5,7H,1-3H2
InChIKeyIVBXYRHIQGLLSZ-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.25
Rot. Bonds1

About 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82270016) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82270016
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2nc(C3CCCO3)cc2n1
InChIInChI=1S/C11H9ClF3N3O/c12-9-5-8(11(13,14)15)16-10-4-6(17-18(9)10)7-2-1-3-19-7/h4-5,7H,1-3H2
InChIKeyIVBXYRHIQGLLSZ-UHFFFAOYSA-N
XLogP3.25
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 82270016) is 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(Cl)n2nc(C3CCCO3)cc2n1.
What is the InChIKey of 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IVBXYRHIQGLLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c12-9-5-8(11(13,14)15)16-10-4-6(17-18(9)10)7-2-1-3-19-7/h4-5,7H,1-3H2.
What are the key properties of 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 291.66 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(oxolan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82270016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).