5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C16H18F3N5O — CID 53300784

IUPAC5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C16H18F3N5O/c1-10-5-4-6-11(2)13(10)24-14(20-21-22-24)15(3)8-7-12(25)23(15)9-16(17,18)19/h4-6H,7-9H2,1-3H3
InChIKeyUFWFQEFONBLITG-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.68
Rot. Bonds3

About 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 53300784) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID53300784
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CC(F)(F)F
InChIInChI=1S/C16H18F3N5O/c1-10-5-4-6-11(2)13(10)24-14(20-21-22-24)15(3)8-7-12(25)23(15)9-16(17,18)19/h4-6H,7-9H2,1-3H3
InChIKeyUFWFQEFONBLITG-UHFFFAOYSA-N
XLogP2.68
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 53300746
1-Cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300791
3-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyrrolidin-1-yl-methyl}-8-methyl-1H-quinolin-2-one
CID 650268
N-{[4-(dimethylamino)phenyl][1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]methyl}-N-methylacetamide
CID 15945663
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 53300742
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 53300747
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300744
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 53300753
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300782
1-(Cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300787
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300789
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 53300795

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 53300784) is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is Cc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CC(F)(F)F.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is UFWFQEFONBLITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10-5-4-6-11(2)13(10)24-14(20-21-22-24)15(3)8-7-12(25)23(15)9-16(17,18)19/h4-6H,7-9H2,1-3H3.
What are the key properties of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 353.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 53300784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).