1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone

C13H14FN5O — CID 70729161

IUPAC1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H14FN5O/c14-12-3-1-10(2-4-12)11-5-6-18(7-11)13(20)8-19-9-15-16-17-19/h1-4,9,11H,5-8H2
InChIKeyONDDHJBURRVUIF-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.83
Rot. Bonds3

About 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 70729161) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID70729161
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H14FN5O/c14-12-3-1-10(2-4-12)11-5-6-18(7-11)13(20)8-19-9-15-16-17-19/h1-4,9,11H,5-8H2
InChIKeyONDDHJBURRVUIF-UHFFFAOYSA-N
XLogP0.83
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 45211610
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 45236654
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 60558538
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
1-[3-(4-fluorophenyl)azepan-1-yl]propan-1-one
CID 90608725
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 63259244
1-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 56878819
1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 78082525
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 97208119

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 70729161) is 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is ONDDHJBURRVUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c14-12-3-1-10(2-4-12)11-5-6-18(7-11)13(20)8-19-9-15-16-17-19/h1-4,9,11H,5-8H2.
What are the key properties of 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 275.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 70729161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).