2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H12F3N3 — CID 702425

IUPAC2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H12F3N3/c20-19(21,22)17-11-15(13-7-3-1-4-8-13)23-18-12-16(24-25(17)18)14-9-5-2-6-10-14/h1-12H
InChIKeyGYHZXPAQRVJVJB-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.08
Rot. Bonds2

About 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 702425) has the molecular formula C19H12F3N3 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID702425
Molecular FormulaC19H12F3N3
Molecular Weight339.32 g/mol
Exact Mass339.10
IUPAC Name2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H12F3N3/c20-19(21,22)17-11-15(13-7-3-1-4-8-13)23-18-12-16(24-25(17)18)14-9-5-2-6-10-14/h1-12H
InChIKeyGYHZXPAQRVJVJB-UHFFFAOYSA-N
XLogP5.08
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 702425) is 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GYHZXPAQRVJVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3/c20-19(21,22)17-11-15(13-7-3-1-4-8-13)23-18-12-16(24-25(17)18)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 339.32 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 702425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).