[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C17H15F3N4O2 — CID 99926957

IUPAC[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC[C@@H]3c3ccco3)c2n1
InChIInChI=1S/C17H15F3N4O2/c1-10-8-14(17(18,19)20)24-15(22-10)11(9-21-24)16(25)23-6-2-4-12(23)13-5-3-7-26-13/h3,5,7-9,12H,2,4,6H2,1H3/t12-/m1/s1
InChIKeyQUUXASPISIHYTA-GFCCVEGCSA-N
MW364.33 g/mol
LogP3.63
Rot. Bonds2

About [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 99926957) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID99926957
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC[C@@H]3c3ccco3)c2n1
InChIInChI=1S/C17H15F3N4O2/c1-10-8-14(17(18,19)20)24-15(22-10)11(9-21-24)16(25)23-6-2-4-12(23)13-5-3-7-26-13/h3,5,7-9,12H,2,4,6H2,1H3/t12-/m1/s1
InChIKeyQUUXASPISIHYTA-GFCCVEGCSA-N
XLogP3.63
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731561
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46366270
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 92736283
[2-(furan-2-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 20895623
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 92893627
[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 51548409
[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 50809128
6-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98350659
[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95225215
[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95225214
(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 20895629
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 20895676

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 99926957) is [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC[C@@H]3c3ccco3)c2n1.
What is the InChIKey of [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is QUUXASPISIHYTA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-10-8-14(17(18,19)20)24-15(22-10)11(9-21-24)16(25)23-6-2-4-12(23)13-5-3-7-26-13/h3,5,7-9,12H,2,4,6H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 364.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 99926957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).