5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C14H7F6N3O — CID 127045496

IUPAC5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2ccn3ncc(C(F)(F)F)c3n2)cc1
InChIInChI=1S/C14H7F6N3O/c15-13(16,17)10-7-21-23-6-5-11(22-12(10)23)8-1-3-9(4-2-8)24-14(18,19)20/h1-7H
InChIKeyUHIZWTGIFVJXTR-UHFFFAOYSA-N
MW347.22 g/mol
LogP4.31
Rot. Bonds2

About 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 127045496) has the molecular formula C14H7F6N3O and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID127045496
Molecular FormulaC14H7F6N3O
Molecular Weight347.22 g/mol
Exact Mass347.05
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2ccn3ncc(C(F)(F)F)c3n2)cc1
InChIInChI=1S/C14H7F6N3O/c15-13(16,17)10-7-21-23-6-5-11(22-12(10)23)8-1-3-9(4-2-8)24-14(18,19)20/h1-7H
InChIKeyUHIZWTGIFVJXTR-UHFFFAOYSA-N
XLogP4.31
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 127045496) is 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)Oc1ccc(-c2ccn3ncc(C(F)(F)F)c3n2)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UHIZWTGIFVJXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3O/c15-13(16,17)10-7-21-23-6-5-11(22-12(10)23)8-1-3-9(4-2-8)24-14(18,19)20/h1-7H.
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 347.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 127045496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).