2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone

C22H21F2N3O3S — CID 71808815

IUPAC2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21F2N3O3S/c23-18-3-1-16(2-4-18)17-13-25-27(14-17)15-22(28)26-11-9-21(10-12-26)31(29,30)20-7-5-19(24)6-8-20/h1-8,13-14,21H,9-12,15H2
InChIKeyIAJKENXZQUHLOY-UHFFFAOYSA-N
MW445.49 g/mol
LogP3.29
Rot. Bonds5

About 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone

2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone (PubChem CID 71808815) has the molecular formula C22H21F2N3O3S and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
PubChem CID71808815
Molecular FormulaC22H21F2N3O3S
Molecular Weight445.49 g/mol
Exact Mass445.13
IUPAC Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21F2N3O3S/c23-18-3-1-16(2-4-18)17-13-25-27(14-17)15-22(28)26-11-9-21(10-12-26)31(29,30)20-7-5-19(24)6-8-20/h1-8,13-14,21H,9-12,15H2
InChIKeyIAJKENXZQUHLOY-UHFFFAOYSA-N
XLogP3.29
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71801682
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90590986
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
CID 90589548
N-[(1R,2S)-2-(4-fluorophenyl)sulfonylcyclobutyl]-2-[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
CID 134203648
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
2-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90589734
1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 21070969
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71808797
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90589590
3-(3,5-ditert-butylphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one
CID 121140114
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
CID 71801680

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone (CID 71808815) is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone is O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone?
The InChIKey is IAJKENXZQUHLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3S/c23-18-3-1-16(2-4-18)17-13-25-27(14-17)15-22(28)26-11-9-21(10-12-26)31(29,30)20-7-5-19(24)6-8-20/h1-8,13-14,21H,9-12,15H2.
What are the key properties of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone?
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone has a molecular weight of 445.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone is sourced from PubChem (CID 71808815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).