5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one

C17H22FN5O — CID 53300766

IUPAC5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN5O/c1-3-4-11-23-16(19-20-21-23)17(2)10-9-15(24)22(17)12-13-5-7-14(18)8-6-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyLJSGTBATHYHMHW-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.65
Rot. Bonds6

About 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 53300766) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID53300766
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Name5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN5O/c1-3-4-11-23-16(19-20-21-23)17(2)10-9-15(24)22(17)12-13-5-7-14(18)8-6-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyLJSGTBATHYHMHW-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.65
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
1-[(4-Fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 16192879
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine-4-carboxylic acid amide
CID 651035
CID 16192910
CID 16192910
1-[1-[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 3209815
5-(1-Benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
CID 53300801
5-(1-Butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300802
3-(1-Tert-butyl-1H-1,2,3,4-tetrazol-5-YL)-2-[(2-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one
CID 91909014
1-[[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-(2-fluoro-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 646599
1-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
CID 646900
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperidine-4-carboxylic acid amide
CID 3209665
5-(1-Benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300792

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one (CID 53300766) is 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is LJSGTBATHYHMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-3-4-11-23-16(19-20-21-23)17(2)10-9-15(24)22(17)12-13-5-7-14(18)8-6-13/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 331.40 g/mol, XLogP of 2.65, 6 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-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).