5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C20H14F3N3O — CID 1497083

IUPAC5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H14F3N3O/c1-27-15-9-7-14(8-10-15)17-11-18(20(21,22)23)26-19(25-17)16(12-24-26)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyUDXHEBFBXDXBFR-UHFFFAOYSA-N
MW369.35 g/mol
LogP5.09
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1497083) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1497083
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H14F3N3O/c1-27-15-9-7-14(8-10-15)17-11-18(20(21,22)23)26-19(25-17)16(12-24-26)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyUDXHEBFBXDXBFR-UHFFFAOYSA-N
XLogP5.09
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1497083) is 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UDXHEBFBXDXBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-27-15-9-7-14(8-10-15)17-11-18(20(21,22)23)26-19(25-17)16(12-24-26)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 369.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1497083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).