5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H14F3N3O3 — CID 2823396

IUPAC5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccco4)cc3n2)cc1OC
InChIInChI=1S/C19H14F3N3O3/c1-26-15-6-5-11(8-16(15)27-2)12-9-17(19(20,21)22)25-18(23-12)10-13(24-25)14-4-3-7-28-14/h3-10H,1-2H3
InChIKeyVUDNWXGUHVFDOI-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.69
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2823396) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2823396
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccco4)cc3n2)cc1OC
InChIInChI=1S/C19H14F3N3O3/c1-26-15-6-5-11(8-16(15)27-2)12-9-17(19(20,21)22)25-18(23-12)10-13(24-25)14-4-3-7-28-14/h3-10H,1-2H3
InChIKeyVUDNWXGUHVFDOI-UHFFFAOYSA-N
XLogP4.69
TPSA61.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2823396) is 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccco4)cc3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is VUDNWXGUHVFDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-26-15-6-5-11(8-16(15)27-2)12-9-17(19(20,21)22)25-18(23-12)10-13(24-25)14-4-3-7-28-14/h3-10H,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 389.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2823396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).