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

C11H5ClF3N3O — CID 82270027

IUPAC7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2nc(-c3ccco3)cc2n1
InChIInChI=1S/C11H5ClF3N3O/c12-9-5-8(11(13,14)15)16-10-4-6(17-18(9)10)7-2-1-3-19-7/h1-5H
InChIKeyPWKYAIXWLKLGGJ-UHFFFAOYSA-N
MW287.63 g/mol
LogP3.66
Rot. Bonds1

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

7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82270027) has the molecular formula C11H5ClF3N3O and a molecular weight of 287.63 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82270027
Molecular FormulaC11H5ClF3N3O
Molecular Weight287.63 g/mol
Exact Mass287.01
IUPAC Name7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2nc(-c3ccco3)cc2n1
InChIInChI=1S/C11H5ClF3N3O/c12-9-5-8(11(13,14)15)16-10-4-6(17-18(9)10)7-2-1-3-19-7/h1-5H
InChIKeyPWKYAIXWLKLGGJ-UHFFFAOYSA-N
XLogP3.66
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823529
7-(furan-2-yl)-2,4-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13424971
2-(furan-2-yl)-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823019
1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole
CID 3241637
4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 167530542
4-(furan-2-yl)-2-(trifluoromethyl)pyridine
CID 90317774
5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 9464099
4-(furan-2-yl)-2-(3-nitropyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 4074995
7-(furan-2-yl)-2-(methoxymethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170670
(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine
CID 51596288
(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40653702

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 82270027) is 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(Cl)n2nc(-c3ccco3)cc2n1.
What is the InChIKey of 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PWKYAIXWLKLGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N3O/c12-9-5-8(11(13,14)15)16-10-4-6(17-18(9)10)7-2-1-3-19-7/h1-5H.
What are the key properties of 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 287.63 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82270027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).