1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one

C15H16F3N5O — CID 133325575

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCc1cc(N2CCC(Nc3cccc(C(F)(F)F)n3)C2=O)n(C)n1
InChIInChI=1S/C15H16F3N5O/c1-9-8-13(22(2)21-9)23-7-6-10(14(23)24)19-12-5-3-4-11(20-12)15(16,17)18/h3-5,8,10H,6-7H2,1-2H3,(H,19,20)
InChIKeyFZYMCPCEYJLHPZ-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.36
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one (PubChem CID 133325575) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one
PubChem CID133325575
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCc1cc(N2CCC(Nc3cccc(C(F)(F)F)n3)C2=O)n(C)n1
InChIInChI=1S/C15H16F3N5O/c1-9-8-13(22(2)21-9)23-7-6-10(14(23)24)19-12-5-3-4-11(20-12)15(16,17)18/h3-5,8,10H,6-7H2,1-2H3,(H,19,20)
InChIKeyFZYMCPCEYJLHPZ-UHFFFAOYSA-N
XLogP2.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122048334
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133402560
2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]-6-fluorobenzonitrile
CID 133325659
3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133325540
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133325552
1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea
CID 124570182
(3R)-1-methyl-3-[[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318486
(3S)-1-methyl-3-[[2-[[(3S)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318487
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 104891772
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one
CID 133325636
(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]pyrrolidin-2-one
CID 97102106

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one (CID 133325575) is 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one is Cc1cc(N2CCC(Nc3cccc(C(F)(F)F)n3)C2=O)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The InChIKey is FZYMCPCEYJLHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-9-8-13(22(2)21-9)23-7-6-10(14(23)24)19-12-5-3-4-11(20-12)15(16,17)18/h3-5,8,10H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one has a molecular weight of 339.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133325575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).