1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one

C16H15F3N4O2 — CID 133419749

IUPAC1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2ccc(C(F)(F)F)nn2)C1=O
InChIInChI=1S/C16H15F3N4O2/c1-25-12-5-3-2-4-11(12)23-9-8-10(15(23)24)20-14-7-6-13(21-22-14)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyYMHNSUVBLLBWBJ-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one

1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one (PubChem CID 133419749) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
PubChem CID133419749
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2ccc(C(F)(F)F)nn2)C1=O
InChIInChI=1S/C16H15F3N4O2/c1-25-12-5-3-2-4-11(12)23-9-8-10(15(23)24)20-14-7-6-13(21-22-14)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyYMHNSUVBLLBWBJ-UHFFFAOYSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 99809079
1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133438994
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
CID 133491151
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133418807
3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 126791576
methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate
CID 133296390
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 133491152
1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126781578
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one (CID 133419749) is 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one is COc1ccccc1N1CCC(Nc2ccc(C(F)(F)F)nn2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The InChIKey is YMHNSUVBLLBWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-25-12-5-3-2-4-11(12)23-9-8-10(15(23)24)20-14-7-6-13(21-22-14)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one has a molecular weight of 352.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133419749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).