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

C18H11F3N4 — CID 2822979

IUPAC2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccccn2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H11F3N4/c19-18(20,21)16-10-15(13-8-4-5-9-22-13)23-17-11-14(24-25(16)17)12-6-2-1-3-7-12/h1-11H
InChIKeyOFKCWSJGTAVYTD-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.48
Rot. Bonds2

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

2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2822979) has the molecular formula C18H11F3N4 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2822979
Molecular FormulaC18H11F3N4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC Name2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccccn2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H11F3N4/c19-18(20,21)16-10-15(13-8-4-5-9-22-13)23-17-11-14(24-25(16)17)12-6-2-1-3-7-12/h1-11H
InChIKeyOFKCWSJGTAVYTD-UHFFFAOYSA-N
XLogP4.48
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2822979) is 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccccn2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OFKCWSJGTAVYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4/c19-18(20,21)16-10-15(13-8-4-5-9-22-13)23-17-11-14(24-25(16)17)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 340.31 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2822979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).