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

C18H12F3N3O2 — CID 2823398

IUPAC2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H12F3N3O2/c1-25-12-6-4-11(5-7-12)13-9-16(18(19,20)21)24-17(22-13)10-14(23-24)15-3-2-8-26-15/h2-10H,1H3
InChIKeyBOTCNMOFENTFBV-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.68
Rot. Bonds3

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

2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2823398) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2823398
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H12F3N3O2/c1-25-12-6-4-11(5-7-12)13-9-16(18(19,20)21)24-17(22-13)10-14(23-24)15-3-2-8-26-15/h2-10H,1H3
InChIKeyBOTCNMOFENTFBV-UHFFFAOYSA-N
XLogP4.68
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2823398) is 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccco4)cc3n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BOTCNMOFENTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c1-25-12-6-4-11(5-7-12)13-9-16(18(19,20)21)24-17(22-13)10-14(23-24)15-3-2-8-26-15/h2-10H,1H3.
What are the key properties of 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 359.31 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2823398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).