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

C18H19F3N4O — CID 133418807

IUPAC1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESO=C1C(Nc2ccc(C(F)(F)F)nn2)CCN1CCCc1ccccc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-8-9-16(24-23-15)22-14-10-12-25(17(14)26)11-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,22,24)
InChIKeyNBWOTDPMKWWOFT-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.14
Rot. Bonds6

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

1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one (PubChem CID 133418807) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
PubChem CID133418807
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESO=C1C(Nc2ccc(C(F)(F)F)nn2)CCN1CCCc1ccccc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-8-9-16(24-23-15)22-14-10-12-25(17(14)26)11-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,22,24)
InChIKeyNBWOTDPMKWWOFT-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133483895
5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 133485643
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337113
3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337054
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133438994
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133337105
1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 166232757
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 84598997
1-(2-phenylethyl)-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 68582866
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one (CID 133418807) is 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one is O=C1C(Nc2ccc(C(F)(F)F)nn2)CCN1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The InChIKey is NBWOTDPMKWWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)15-8-9-16(24-23-15)22-14-10-12-25(17(14)26)11-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,22,24).
What are the key properties of 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one?
1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one has a molecular weight of 364.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133418807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).