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

C8H3F6N3 — CID 13115788

IUPAC5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(C(F)(F)F)n2nccc2n1
InChIInChI=1S/C8H3F6N3/c9-7(10,11)4-3-5(8(12,13)14)17-6(16-4)1-2-15-17/h1-3H
InChIKeyJLVAFGWGEKZJQD-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.77
Rot. Bonds

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

5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 13115788) has the molecular formula C8H3F6N3 and a molecular weight of 255.12 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID13115788
Molecular FormulaC8H3F6N3
Molecular Weight255.12 g/mol
Exact Mass255.02
IUPAC Name5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(C(F)(F)F)n2nccc2n1
InChIInChI=1S/C8H3F6N3/c9-7(10,11)4-3-5(8(12,13)14)17-6(16-4)1-2-15-17/h1-3H
InChIKeyJLVAFGWGEKZJQD-UHFFFAOYSA-N
XLogP2.77
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 13115788) is 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(C(F)(F)F)n2nccc2n1.
What is the InChIKey of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is JLVAFGWGEKZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6N3/c9-7(10,11)4-3-5(8(12,13)14)17-6(16-4)1-2-15-17/h1-3H.
What are the key properties of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 255.12 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 13115788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).