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

C21H12F3N3O — CID 2823529

IUPAC2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C21H12F3N3O/c22-21(23,24)19-11-16(15-8-7-13-4-1-2-5-14(13)10-15)25-20-12-17(26-27(19)20)18-6-3-9-28-18/h1-12H
InChIKeySHKGMCDOKAJHQK-UHFFFAOYSA-N
MW379.34 g/mol
LogP5.83
Rot. Bonds2

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

2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2823529) has the molecular formula C21H12F3N3O and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2823529
Molecular FormulaC21H12F3N3O
Molecular Weight379.34 g/mol
Exact Mass379.09
IUPAC Name2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C21H12F3N3O/c22-21(23,24)19-11-16(15-8-7-13-4-1-2-5-14(13)10-15)25-20-12-17(26-27(19)20)18-6-3-9-28-18/h1-12H
InChIKeySHKGMCDOKAJHQK-UHFFFAOYSA-N
XLogP5.83
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.34
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroisoquinolin-2(1H)-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1164916
5-(Furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2056940
5-(furan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020671
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazol-4-yl]-amide
CID 651382
(3,4-Dihydro-2H-quinolin-1-yl)-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 654073
2-[(4-Benzoyl-1-piperazinyl)carbonyl]-3-bromo-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1043228
[4-(3-Fluoro-benzoyl)-piperazin-1-yl]-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 1164940
A2A receptor antagonist 1
CID 9879687
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
1-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9967146
2-Furan-2-yl-7-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125605
3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-benzonitrile
CID 10171782

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2823529) is 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SHKGMCDOKAJHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O/c22-21(23,24)19-11-16(15-8-7-13-4-1-2-5-14(13)10-15)25-20-12-17(26-27(19)20)18-6-3-9-28-18/h1-12H.
What are the key properties of 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 379.34 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2823529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).