1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole

C14H18FN5O — CID 136561091

IUPAC1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole
SMILESCOc1ccc(CCn2nnnc2N2CCCC2)cc1F
InChIInChI=1S/C14H18FN5O/c1-21-13-5-4-11(10-12(13)15)6-9-20-14(16-17-18-20)19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3
InChIKeyAHFQUVDNKMZQIK-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole

1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole (PubChem CID 136561091) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole
PubChem CID136561091
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole
SMILESCOc1ccc(CCn2nnnc2N2CCCC2)cc1F
InChIInChI=1S/C14H18FN5O/c1-21-13-5-4-11(10-12(13)15)6-9-20-14(16-17-18-20)19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3
InChIKeyAHFQUVDNKMZQIK-UHFFFAOYSA-N
XLogP1.66
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 94697958
2-[2-[5-[(3-fluoro-4-methoxyphenyl)methyl]tetrazol-1-yl]ethyl]cyclopentan-1-one
CID 75424250
1-cyclopentyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-fluorophenyl)methyl]piperazine
CID 3210602
1-benzyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]piperazine
CID 3210595
1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,4-diazepan-2-one
CID 82304426
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-3-methylbutyl]-4-(4-methoxyphenyl)piperazine
CID 3210590
[(S)-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-dimethylazanium
CID 7242552
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 3210562
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole (CID 136561091) is 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole is COc1ccc(CCn2nnnc2N2CCCC2)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole?
The InChIKey is AHFQUVDNKMZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-21-13-5-4-11(10-12(13)15)6-9-20-14(16-17-18-20)19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole?
1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole has a molecular weight of 291.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-5-pyrrolidin-1-yltetrazole is sourced from PubChem (CID 136561091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).