2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one

C16H19FN4O2 — CID 75424250

IUPAC2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one
SMILESCOc1ccc(Cc2nnnn2CCC2CCCC2=O)cc1F
InChIInChI=1S/C16H19FN4O2/c1-23-15-6-5-11(9-13(15)17)10-16-18-19-20-21(16)8-7-12-3-2-4-14(12)22/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyCSSKTUFRMVSWCK-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one

2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one (PubChem CID 75424250) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one
PubChem CID75424250
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one
SMILESCOc1ccc(Cc2nnnn2CCC2CCCC2=O)cc1F
InChIInChI=1S/C16H19FN4O2/c1-23-15-6-5-11(9-13(15)17)10-16-18-19-20-21(16)8-7-12-3-2-4-14(12)22/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyCSSKTUFRMVSWCK-UHFFFAOYSA-N
XLogP2.17
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole
CID 136561091
2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 82083610
4-[5-[(3,4-difluorophenyl)methyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 80541426
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile
CID 116837933
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088323
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one (CID 75424250) is 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one is COc1ccc(Cc2nnnn2CCC2CCCC2=O)cc1F.
What is the InChIKey of 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one?
The InChIKey is CSSKTUFRMVSWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-23-15-6-5-11(9-13(15)17)10-16-18-19-20-21(16)8-7-12-3-2-4-14(12)22/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one?
2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one has a molecular weight of 318.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one is sourced from PubChem (CID 75424250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).