4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine

C22H24FN3O3S — CID 70683716

IUPAC4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
SMILESCOc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O3S/c1-29-22-6-4-3-5-20(22)26-21(17-7-9-18(23)10-8-17)15-19(24-26)16-11-13-25(14-12-16)30(2,27)28/h3-10,15-16H,11-14H2,1-2H3
InChIKeyCKGIBMYRUZZQGM-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.83
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine

4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine (PubChem CID 70683716) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
PubChem CID70683716
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
SMILESCOc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O3S/c1-29-22-6-4-3-5-20(22)26-21(17-7-9-18(23)10-8-17)15-19(24-26)16-11-13-25(14-12-16)30(2,27)28/h3-10,15-16H,11-14H2,1-2H3
InChIKeyCKGIBMYRUZZQGM-UHFFFAOYSA-N
XLogP3.83
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2-Methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]benzonitrile
CID 73292925
(4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454906
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727548
N-{4-[2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-methanesulfonamide
CID 10070193
4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 60143325
4-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]-N,N-dimethylaniline
CID 70681600
4-[1-(3-Chloro-2-methoxyphenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70685862
4-[5-(4-Tert-butylphenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70685863
4-[1-(2-Methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70685864
4-[5-(2,4-Dichlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine
CID 70685865
2-Chloro-5-[1-(2-methoxyphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]benzonitrile
CID 70685866
4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-(trifluoromethylsulfonyl)piperidine
CID 70687990

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine (CID 70683716) is 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine is COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine?
The InChIKey is CKGIBMYRUZZQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-29-22-6-4-3-5-20(22)26-21(17-7-9-18(23)10-8-17)15-19(24-26)16-11-13-25(14-12-16)30(2,27)28/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine?
4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine has a molecular weight of 429.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 70683716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).