[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone

C18H20FN3OS — CID 134028124

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2cccs2)NN1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c19-13-7-5-12(6-8-13)16-3-1-9-22(16)18(23)15-11-14(20-21-15)17-4-2-10-24-17/h2,4-8,10,14-16,20-21H,1,3,9,11H2
InChIKeyIJXXLXOKYFZEHV-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.16
Rot. Bonds3

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone (PubChem CID 134028124) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
PubChem CID134028124
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2cccs2)NN1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c19-13-7-5-12(6-8-13)16-3-1-9-22(16)18(23)15-11-14(20-21-15)17-4-2-10-24-17/h2,4-8,10,14-16,20-21H,1,3,9,11H2
InChIKeyIJXXLXOKYFZEHV-UHFFFAOYSA-N
XLogP3.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypyrrolidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 54869522
(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 52989207
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 94617936
[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone
CID 133143529
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 31959986
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
CID 133110151
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]methanone
CID 97078911
[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134067514

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone (CID 134028124) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone is O=C(C1CC(c2cccs2)NN1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone?
The InChIKey is IJXXLXOKYFZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c19-13-7-5-12(6-8-13)16-3-1-9-22(16)18(23)15-11-14(20-21-15)17-4-2-10-24-17/h2,4-8,10,14-16,20-21H,1,3,9,11H2.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone has a molecular weight of 345.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 134028124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).