2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C13H9F3N4 — CID 2822982

IUPAC2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccn3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C13H9F3N4/c1-8-6-12-18-10(9-4-2-3-5-17-9)7-11(13(14,15)16)20(12)19-8/h2-7H,1H3
InChIKeyVDTQPLWEEVJDFZ-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.12
Rot. Bonds1

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

2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2822982) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2822982
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccn3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C13H9F3N4/c1-8-6-12-18-10(9-4-2-3-5-17-9)7-11(13(14,15)16)20(12)19-8/h2-7H,1H3
InChIKeyVDTQPLWEEVJDFZ-UHFFFAOYSA-N
XLogP3.12
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2822982) is 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccccn3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is VDTQPLWEEVJDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-8-6-12-18-10(9-4-2-3-5-17-9)7-11(13(14,15)16)20(12)19-8/h2-7H,1H3.
What are the key properties of 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 278.24 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2822982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).