5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one

C20H18FN3O2 — CID 56892164

IUPAC5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
SMILESO=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O2/c21-15-10-8-14(9-11-15)18-7-4-12-23(18)20(26)17-13-19(25)24(22-17)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18,22H,4,7,12H2
InChIKeyCIOZANRJXCWZEF-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.28
Rot. Bonds3

About 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one

5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 56892164) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID56892164
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
SMILESO=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O2/c21-15-10-8-14(9-11-15)18-7-4-12-23(18)20(26)17-13-19(25)24(22-17)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18,22H,4,7,12H2
InChIKeyCIOZANRJXCWZEF-UHFFFAOYSA-N
XLogP3.28
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 55758691
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621
3-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51338957
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
[2-(4-fluorophenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70775438
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 94617936
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514
7-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 95045601

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one (CID 56892164) is 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one is O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is CIOZANRJXCWZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-15-10-8-14(9-11-15)18-7-4-12-23(18)20(26)17-13-19(25)24(22-17)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18,22H,4,7,12H2.
What are the key properties of 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?
5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 351.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 56892164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).