5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one

C18H24FN5O — CID 53300802

IUPAC5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CCc1ccccc1F
InChIInChI=1S/C18H24FN5O/c1-3-4-12-24-17(20-21-22-24)18(2)11-9-16(25)23(18)13-10-14-7-5-6-8-15(14)19/h5-8H,3-4,9-13H2,1-2H3
InChIKeyPLABCCOBJPDPSM-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.69
Rot. Bonds7

About 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one (PubChem CID 53300802) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
PubChem CID53300802
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CCc1ccccc1F
InChIInChI=1S/C18H24FN5O/c1-3-4-12-24-17(20-21-22-24)18(2)11-9-16(25)23(18)13-10-14-7-5-6-8-15(14)19/h5-8H,3-4,9-13H2,1-2H3
InChIKeyPLABCCOBJPDPSM-UHFFFAOYSA-N
XLogP2.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
4-[(1-{4-[3-(4-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24819272
4-[(1-{4-[3-(2-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24790697
5-(1-Benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
CID 53300801
1-[1-(1-Phenethyl-1H-tetrazol-5-yl)-butyl]-piperidine-4-carboxylic acid amide
CID 3210473
1-[2-Methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210484
1-[3-Methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperidine-4-carboxylic acid amide
CID 3210488
5-(1-Benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300792
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 53300753
5-(1-Benzyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300755
5-(1-Butyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300764
5-(1-Butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300766

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one (CID 53300802) is 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1CCc1ccccc1F.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The InChIKey is PLABCCOBJPDPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-3-4-12-24-17(20-21-22-24)18(2)11-9-16(25)23(18)13-10-14-7-5-6-8-15(14)19/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one has a molecular weight of 345.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).