[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone

C18H21FN4O2 — CID 129486685

IUPAC[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@](O)(c2cn[nH]n2)C1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H21FN4O2/c19-14-6-2-1-5-13(14)17(7-3-4-8-17)16(24)23-10-9-18(25,12-23)15-11-20-22-21-15/h1-2,5-6,11,25H,3-4,7-10,12H2,(H,20,21,22)/t18-/m1/s1
InChIKeyQACUKCDINZPSGU-GOSISDBHSA-N
MW344.39 g/mol
LogP1.88
Rot. Bonds3

About [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone

[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 129486685) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID129486685
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@](O)(c2cn[nH]n2)C1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H21FN4O2/c19-14-6-2-1-5-13(14)17(7-3-4-8-17)16(24)23-10-9-18(25,12-23)15-11-20-22-21-15/h1-2,5-6,11,25H,3-4,7-10,12H2,(H,20,21,22)/t18-/m1/s1
InChIKeyQACUKCDINZPSGU-GOSISDBHSA-N
XLogP1.88
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylphenyl)cyclobutyl]methanone
CID 167986110
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 129484688
1-(2,6-difluorophenyl)sulfonyl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 167977300
(E)-3-(4-fluorophenyl)-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]but-2-en-1-one
CID 167837787
3-(2,4-difluorophenyl)-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 167926533
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 128981311
[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-(4-methyl-1-phenylpyrazol-3-yl)methanone
CID 154795009
3,3-dicyclopropyl-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 154756977
(3R)-1-[1-(2-fluorophenyl)cyclopentanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023854
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 128981368
2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethanone
CID 129483951

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone (CID 129486685) is [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone is O=C(N1CC[C@](O)(c2cn[nH]n2)C1)C1(c2ccccc2F)CCCC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QACUKCDINZPSGU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-6-2-1-5-13(14)17(7-3-4-8-17)16(24)23-10-9-18(25,12-23)15-11-20-22-21-15/h1-2,5-6,11,25H,3-4,7-10,12H2,(H,20,21,22)/t18-/m1/s1.
What are the key properties of [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129486685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).