1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one

C15H15F3N4O2 — CID 136542915

IUPAC1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(N2CCC(n3ccc(C(F)(F)F)cc3=O)C2=O)n(C)n1
InChIInChI=1S/C15H15F3N4O2/c1-9-7-12(20(2)19-9)22-6-4-11(14(22)24)21-5-3-10(8-13(21)23)15(16,17)18/h3,5,7-8,11H,4,6H2,1-2H3
InChIKeyJTUPIUPSMRVNIC-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.89
Rot. Bonds2

About 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one

1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 136542915) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID136542915
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(N2CCC(n3ccc(C(F)(F)F)cc3=O)C2=O)n(C)n1
InChIInChI=1S/C15H15F3N4O2/c1-9-7-12(20(2)19-9)22-6-4-11(14(22)24)21-5-3-10(8-13(21)23)15(16,17)18/h3,5,7-8,11H,4,6H2,1-2H3
InChIKeyJTUPIUPSMRVNIC-UHFFFAOYSA-N
XLogP1.89
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86770898
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133325575
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one
CID 75475434
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 120761777
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-2-one
CID 86770894
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 120773416
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 97346624
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one
CID 99631110
1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea
CID 124570182
2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]-6-fluorobenzonitrile
CID 133325659
3-[benzyl(ethyl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86771090
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133325552

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one (CID 136542915) is 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one is Cc1cc(N2CCC(n3ccc(C(F)(F)F)cc3=O)C2=O)n(C)n1.
What is the InChIKey of 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is JTUPIUPSMRVNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-9-7-12(20(2)19-9)22-6-4-11(14(22)24)21-5-3-10(8-13(21)23)15(16,17)18/h3,5,7-8,11H,4,6H2,1-2H3.
What are the key properties of 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one?
1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 340.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 136542915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).