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

C21H22FN5O — CID 53300792

IUPAC5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccccc1F
InChIInChI=1S/C21H22FN5O/c1-21(20-23-24-25-27(20)15-16-7-3-2-4-8-16)13-11-19(28)26(21)14-12-17-9-5-6-10-18(17)22/h2-10H,11-15H2,1H3
InChIKeyVMMBEADWAKWRES-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.94
Rot. Bonds6

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

5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one (PubChem CID 53300792) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
PubChem CID53300792
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccccc1F
InChIInChI=1S/C21H22FN5O/c1-21(20-23-24-25-27(20)15-16-7-3-2-4-8-16)13-11-19(28)26(21)14-12-17-9-5-6-10-18(17)22/h2-10H,11-15H2,1H3
InChIKeyVMMBEADWAKWRES-UHFFFAOYSA-N
XLogP2.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.94
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-(3-Methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperidine-4-carboxylic acid amide
CID 648991
CID 16192910
CID 16192910
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[2-[5-(trifluoromethyl)tetrazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 165140466
(2S,4R)-4-fluoro-1-[2-(5-methyltetrazol-1-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 167188101
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyltetrazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 169551308
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
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

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one (CID 53300792) is 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one is CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccccc1F.
What is the InChIKey of 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
The InChIKey is VMMBEADWAKWRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-21(20-23-24-25-27(20)15-16-7-3-2-4-8-16)13-11-19(28)26(21)14-12-17-9-5-6-10-18(17)22/h2-10H,11-15H2,1H3.
What are the key properties of 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one?
5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one has a molecular weight of 379.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).