(5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one

C11H11F3N2O — CID 134952956

IUPAC(5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
SMILESCc1ccccc1N1N[C@H](C(F)(F)F)CC1=O
InChIInChI=1S/C11H11F3N2O/c1-7-4-2-3-5-8(7)16-10(17)6-9(15-16)11(12,13)14/h2-5,9,15H,6H2,1H3/t9-/m0/s1
InChIKeyHALDYANXMPMZDL-VIFPVBQESA-N
MW244.22 g/mol
LogP2.17
Rot. Bonds1

About (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one

(5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one (PubChem CID 134952956) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name(5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
PubChem CID134952956
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
SMILESCc1ccccc1N1N[C@H](C(F)(F)F)CC1=O
InChIInChI=1S/C11H11F3N2O/c1-7-4-2-3-5-8(7)16-10(17)6-9(15-16)11(12,13)14/h2-5,9,15H,6H2,1H3/t9-/m0/s1
InChIKeyHALDYANXMPMZDL-VIFPVBQESA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-hydroxyethyl)phenyl]-5-methylpyrazolidin-3-one
CID 105475812
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CID 96582225
4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023248
(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130642989
1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 122415452
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226
5-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 155579307
8-methyl-2-(2-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
CID 118986500
4-(2-methylphenyl)-1,4-diazepan-5-one
CID 45096923
1-(2-methylphenyl)diazinan-3-one
CID 15056538
2-(2-aminophenyl)-5-cyclobutylpyrazolidin-3-one
CID 105489840
3-acetyl-1-(2-methylphenyl)imidazolidine-2,4-dione
CID 154168630

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one?
The IUPAC name of (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one (CID 134952956) is (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one.
What is the SMILES notation for (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one?
The canonical SMILES for (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one is Cc1ccccc1N1N[C@H](C(F)(F)F)CC1=O.
What is the InChIKey of (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one?
The InChIKey is HALDYANXMPMZDL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7-4-2-3-5-8(7)16-10(17)6-9(15-16)11(12,13)14/h2-5,9,15H,6H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one?
(5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one has a molecular weight of 244.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one is sourced from PubChem (CID 134952956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).