5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one

C22H24FN5O — CID 53300782

IUPAC5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CCc1ccccc1F
InChIInChI=1S/C22H24FN5O/c1-15-7-6-8-16(2)20(15)28-21(24-25-26-28)22(3)13-11-19(29)27(22)14-12-17-9-4-5-10-18(17)23/h4-10H,11-14H2,1-3H3
InChIKeyAASPJAGCVJKBOU-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.50
Rot. Bonds5

About 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one

5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one (PubChem CID 53300782) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
PubChem CID53300782
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CCc1ccccc1F
InChIInChI=1S/C22H24FN5O/c1-15-7-6-8-16(2)20(15)28-21(24-25-26-28)22(3)13-11-19(29)27(22)14-12-17-9-4-5-10-18(17)23/h4-10H,11-14H2,1-3H3
InChIKeyAASPJAGCVJKBOU-UHFFFAOYSA-N
XLogP3.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-{(2-chlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]methyl}-N-methylpropanamide
CID 4689284
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
8-[[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360795
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-Benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300792
3-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)-2-(4-methylbenzyl)isoindolin-1-one
CID 53301634
3-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)-2-(2-fluorophenethyl)isoindolin-1-one
CID 53301669
2-cyclopropyl-3-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)isoindolin-1-one
CID 53301675

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one (CID 53300782) is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one is Cc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CCc1ccccc1F.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The InChIKey is AASPJAGCVJKBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-15-7-6-8-16(2)20(15)28-21(24-25-26-28)22(3)13-11-19(29)27(22)14-12-17-9-4-5-10-18(17)23/h4-10H,11-14H2,1-3H3.
What are the key properties of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one has a molecular weight of 393.47 g/mol, XLogP of 3.50, 5 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]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).