1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone

C17H21N3O3S — CID 75476482

IUPAC1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)c(N2CCCC(n3cccn3)C2)c1
InChIInChI=1S/C17H21N3O3S/c1-13(21)14-6-7-17(24(2,22)23)16(11-14)19-9-3-5-15(12-19)20-10-4-8-18-20/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3
InChIKeyPPQUNOOOEXSPHJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.33
Rot. Bonds4

About 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone

1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone (PubChem CID 75476482) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
PubChem CID75476482
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)c(N2CCCC(n3cccn3)C2)c1
InChIInChI=1S/C17H21N3O3S/c1-13(21)14-6-7-17(24(2,22)23)16(11-14)19-9-3-5-15(12-19)20-10-4-8-18-20/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3
InChIKeyPPQUNOOOEXSPHJ-UHFFFAOYSA-N
XLogP2.33
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]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

1-[4-methylsulfonyl-3-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]phenyl]ethanone
CID 97349663
1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
CID 133275817
1-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-methylsulfonylphenyl]ethanone
CID 75476504
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
(1-methylimidazol-2-yl)-[3-nitro-4-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]methanone
CID 133275725
N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide
CID 133275709
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 63150977
(3S,4S)-1-(5-acetyl-2-methylsulfonylphenyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063859
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338

Frequently Asked Questions

What is the IUPAC name of 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone (CID 75476482) is 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(S(C)(=O)=O)c(N2CCCC(n3cccn3)C2)c1.
What is the InChIKey of 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is PPQUNOOOEXSPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13(21)14-6-7-17(24(2,22)23)16(11-14)19-9-3-5-15(12-19)20-10-4-8-18-20/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3.
What are the key properties of 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone?
1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 347.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 75476482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).